data_1wfi_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 1wfi _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 ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 p90 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.537 0.208 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -89.28 142.19 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 38.6 p-90 -158.79 162.56 37.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 14' ' ' GLN . 10.1 t -161.04 -147.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.177 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' N ' ' OG1' ' A' ' 13' ' ' THR . 3.3 pm0 177.13 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.3 t -161.4 56.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.71 30.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -160.27 -85.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.4 pp20? -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -106.54 165.71 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -145.06 129.52 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.01 144.99 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.24 131.41 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.89 106.47 12.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.47 38.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 15.5 m-85 -135.32 146.19 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 84.46 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.443 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 2.6 m -122.46 167.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.34 10.54 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 7.7 p90 -137.1 176.76 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -93.98 93.74 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.05 138.77 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -109.34 168.99 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.67 52.08 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -143.15 -45.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -91.19 22.88 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -111.56 171.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 50' ' ' LYS . 75.9 t -144.43 116.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG13 ' CD1' ' A' ' 71' ' ' TRP . 22.2 t -141.82 106.29 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -107.56 80.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 83' ' ' LEU . 52.6 mt -77.84 95.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -97.19 172.58 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -60.84 -49.18 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.79 51.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 58' ' ' GLY . 4.2 t-160 -174.29 128.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 20.1 tp -120.18 107.27 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.19 119.25 37.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.1 t -128.7 158.52 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.45 -179.95 36.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 92.5 mt -105.19 133.51 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -44.62 125.89 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.12 -28.65 5.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -90.41 169.59 11.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.49 28.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.527 1.803 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -56.06 -32.71 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 45' ' ' LEU . 40.0 t -116.91 136.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -174.51 96.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -178.71 164.84 33.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.63 119.0 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 64' ' ' VAL . 17.3 mt -51.44 168.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 15.8 t80 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 63' ' ' GLU . 12.9 t-20 -178.76 161.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 57.7 mt-10 -50.91 150.97 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 60' ' ' LEU . 12.9 m -148.81 136.22 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.17 105.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 42' ' ' ARG . 2.7 m -80.43 -35.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -56.92 -29.58 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -105.29 29.04 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 p -90.71 176.4 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.78 169.02 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' CD1' HG13 ' A' ' 38' ' ' VAL . 61.0 p-90 -168.48 156.1 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.048 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.07 174.48 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mt -113.56 109.75 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -85.29 141.34 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.19 23.15 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.04 44.24 50.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -163.91 -54.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.1 t -71.11 130.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.32 116.47 44.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -107.0 138.18 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.51 143.38 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 65.0 t60 -115.75 109.5 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 45' ' ' LEU . 17.4 mt -102.7 149.35 24.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.74 130.78 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -73.64 156.75 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mm -81.85 -31.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -101.7 -40.55 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.49 47.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 89' ' ' MET . 2.5 ppp? -168.19 45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -150.48 135.19 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -87.82 132.15 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.536 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 33.5 m0 -93.93 141.13 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.56 -2.72 35.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.466 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.14 148.96 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.6 tm? -66.56 -54.3 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 m -125.27 148.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.466 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 75.3 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.438 ' CD1' HG11 ' A' ' 55' ' ' VAL . 36.0 p90 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.486 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -106.68 143.54 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 12.3 p-90 -151.25 132.13 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -137.71 -164.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -178.64 161.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -122.37 35.5 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt 61.04 15.75 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.17 -53.46 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.7 OUTLIER -114.99 159.47 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -118.83 128.49 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.3 130.25 56.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.97 144.31 47.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.43 138.52 26.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.19 102.77 10.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.86 28.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 20.9 m-30 -125.74 148.83 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 87.34 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -132.58 163.97 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.0 9.59 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -136.67 -177.46 4.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.52 99.26 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.72 140.0 52.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 15.6 mttt -101.54 -171.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 26.39 22.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -119.63 -37.4 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 0.805 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.21 35.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.537 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -146.98 165.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.537 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 97.7 t -136.3 96.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 44.5 t -116.53 99.6 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.53 110.71 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.63 93.41 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.402 ' C ' HG11 ' A' ' 66' ' ' VAL . 4.8 mm100 -94.23 170.67 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -57.5 -50.61 72.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.72 51.94 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -172.76 137.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.2 tp -127.49 140.41 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -144.36 107.9 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.15 149.37 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 158.33 166.34 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.404 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 57.0 mt -84.24 139.55 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.63 126.44 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.67 -41.4 2.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.75 168.21 13.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.39 20.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 10' ' ' TYR . 13.6 t -56.14 -36.84 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 20.9 t -113.51 130.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -172.31 105.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.58 172.75 42.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.25 119.61 25.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -58.87 166.32 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 5.0 t80 -67.41 -36.54 81.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -151.67 -177.89 6.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.9 152.78 38.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 m -143.34 133.26 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.8 tttt -55.95 103.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.1 m -79.56 -22.38 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -22.91 61.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.48 -3.95 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.5 m -77.18 139.91 40.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.0 p -147.12 140.51 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 50.5 p-90 -125.99 160.03 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 80' ' ' THR . 0.2 OUTLIER -154.95 173.66 16.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 32' ' ' LYS . 30.2 mt -116.14 105.99 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.69 134.2 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 48.31 24.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 42.58 47.73 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -137.97 -46.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.96 141.61 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' CG2' HG12 ' A' ' 73' ' ' ILE . 2.5 t -93.16 114.11 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -96.8 133.99 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.02 133.51 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 69.7 t60 -119.52 105.16 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 132.86 36.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -103.97 103.81 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 92.3 mttt -50.85 155.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.9 mm -75.02 -64.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 74.8 m-20 -89.81 -15.35 32.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER 47.36 25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -125.47 47.64 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -155.45 143.99 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -98.52 137.51 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.422 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 20.3 m0 -99.73 143.32 30.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -108.86 -0.7 19.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.485 ' NH1' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -169.85 127.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.7 tm? -43.26 -54.89 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.08 152.75 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -100.51 138.25 37.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 20' ' ' ASP . 48.6 p -122.57 -165.18 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 179.94 171.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -143.59 41.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt 58.59 17.01 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.59 -69.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -95.37 155.68 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.42 121.25 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CB ' ' OG1' ' A' ' 13' ' ' THR . 0.5 OUTLIER -99.59 144.75 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -146.82 136.52 23.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.28 117.89 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.0 105.16 45.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.12 42.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.651 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 15.8 m-85 -135.65 162.12 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.98 98.17 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.576 HG12 ' CE1' ' A' ' 29' ' ' PHE . 1.5 m -141.55 165.88 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.44 12.76 22.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CE1' HG12 ' A' ' 27' ' ' VAL . 45.1 p90 -137.33 175.51 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 128.26 34.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 27' ' ' VAL . 3.9 mm? -68.11 128.43 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 10.4 mttt -100.62 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.86 -18.05 70.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -1.4 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.89 -4.9 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 29.3 t -101.73 168.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -146.07 118.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 71' ' ' TRP . 43.1 t -139.62 105.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -99.55 96.7 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 HG21 ' CB ' ' A' ' 69' ' ' SER . 49.3 mt -93.5 96.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 12.3 mm-40 -101.78 177.1 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.2 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.72 49.97 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -166.02 129.38 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 83' ' ' LEU . 18.7 tp -119.93 148.33 43.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 112.14 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' ' CA ' ' A' ' 54' ' ' PRO . 90.1 t -122.62 160.88 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.2 162.67 10.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -84.38 131.95 34.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -40.09 130.44 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -41.54 3.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.59 167.06 38.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.92 17.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.02 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -55.62 -32.39 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.15 134.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.39 81.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.01 166.23 33.45 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.18 112.9 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 mt -46.82 165.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 5.5 t80 -73.06 -26.71 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -159.18 172.49 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.79 155.2 38.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.7 m -149.81 137.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLU . 12.0 tttt -62.3 108.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.2 m -78.97 -37.86 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.91 -20.25 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.8 25.81 10.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.446 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.3 m -104.55 161.78 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.5 p -162.55 -179.42 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 38' ' ' VAL . 64.4 p-90 -167.24 153.62 8.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -154.17 176.32 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.19 126.12 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -94.91 144.75 25.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.5 22.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 47.93 52.91 15.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.468 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -171.86 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.336 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CD ' ' A' ' 77' ' ' LYS . 99.6 t -90.69 143.74 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.4 t -101.07 138.34 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.91 140.21 47.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.56 153.34 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -129.58 107.81 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 45' ' ' LEU . 40.5 mt -104.45 154.9 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -129.98 132.08 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -75.95 151.93 37.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.8 mm -76.26 -48.74 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.35 -39.58 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.79 49.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.4 ' O ' ' SD ' ' A' ' 89' ' ' MET . 1.9 ppp? -161.05 26.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -132.02 137.8 47.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -91.36 134.79 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 107.95 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.558 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 34.9 m0 -95.9 141.66 29.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -98.66 -3.95 34.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -173.42 150.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.51 -56.76 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.49 152.35 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.422 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 40.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.3 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -103.93 144.6 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 43.6 p-90 -153.93 128.03 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 p -126.07 -160.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 174.19 170.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -128.99 34.03 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 1.0 OUTLIER 65.85 11.69 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.77 -56.15 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.85 156.13 19.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.569 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -115.82 130.82 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.6 146.19 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 tp -149.98 141.88 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.7 117.0 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.1 t -117.04 104.17 51.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.88 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 49' ' ' LEU . 20.2 m-85 -133.96 145.44 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.44 91.86 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.553 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 7.0 m -138.13 166.07 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.1 0.44 13.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HG11 ' A' ' 27' ' ' VAL . 21.3 p90 -120.18 169.3 10.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -88.77 108.45 19.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.69 127.78 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -93.22 175.74 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.75 -12.56 80.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HG2' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -105.23 11.25 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -11.99 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -117.72 167.22 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.2 t -134.75 97.11 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 13.6 t -111.38 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -101.73 101.51 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -98.3 98.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -99.22 175.43 5.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -61.59 -52.23 65.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.1 52.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.94 136.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -130.68 116.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -120.16 116.02 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 54' ' ' PRO . 65.8 t -129.73 149.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.6 154.63 7.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 25' ' ' PHE . 1.4 mm? -76.78 127.98 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 5.0 tttt -38.19 129.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.22 -39.61 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -77.02 167.5 36.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.99 119.32 5.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.22 -31.93 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -119.72 139.08 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.9 t0 179.49 37.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' CA ' HG13 ' A' ' 96' ' ' VAL . . . -111.71 164.59 12.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.89 105.69 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD12 ' CG2' ' A' ' 64' ' ' VAL . 63.3 mt -43.67 159.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 51.1 t80 -50.77 -33.34 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.84 -177.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -54.14 145.75 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.411 ' CG2' HD12 ' A' ' 60' ' ' LEU . 9.7 m -147.85 134.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.91 105.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.45 -36.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.18 3.89 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 p -78.56 162.35 26.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.4 p -167.94 135.28 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 37.2 p-90 -131.33 161.04 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.57 168.81 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 36' ' ' VAL . 41.5 mt -109.77 113.09 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -83.59 145.43 28.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.35 30.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 45.14 38.33 6.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -50.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 74' ' ' GLU . 54.6 t -78.1 146.29 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.21 114.99 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 p -103.59 152.52 21.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.19 143.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 10.2 t60 -125.74 101.81 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.608 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.97 143.24 26.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -115.14 122.91 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 87.1 mttt -70.99 137.82 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.4 -49.71 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 33.0 m-80 -88.98 -33.22 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 9.8 pttt 44.68 60.15 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.56 23.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.39 124.61 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -70.08 142.72 52.61 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.569 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 40.2 m0 -91.18 153.4 20.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -119.76 14.66 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.485 ' CD ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -178.19 124.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.3 tm? -52.17 -50.12 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.482 ' CG1' HD13 ' A' ' 95' ' ' LEU . 6.3 m -120.23 174.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.485 HG22 ' CD ' ' A' ' 94' ' ' ARG . 69.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.483 0.182 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' CG ' ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -98.38 148.6 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CE3' HD11 ' A' ' 95' ' ' LEU . 26.4 p-90 -159.06 134.73 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -137.35 -160.85 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 9.3 pm0 179.81 167.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 15' ' ' THR . 9.0 t -131.49 56.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 89' ' ' MET . 0.2 OUTLIER 39.62 34.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -159.82 -69.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -105.46 173.42 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -126.27 140.34 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.73 128.43 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -131.34 143.49 50.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB1' ' CG ' ' A' ' 11' ' ' ARG . . . -144.41 128.4 17.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.43 105.08 21.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.77 41.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -132.95 140.66 47.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.08 86.02 6.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 77' ' ' LYS . 4.8 m -128.1 162.88 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.15 7.79 16.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -137.21 168.61 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 114.54 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.75 132.06 43.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 19.7 mmtt -90.53 -173.67 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.45 13.79 61.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -25.02 7.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -91.48 20.12 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -137.83 166.32 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.548 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 57.8 t -134.03 100.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.557 HG21 ' CE3' ' A' ' 71' ' ' TRP . 53.8 t -117.38 98.85 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.34 112.07 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -106.43 99.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 29.9 mm-40 -103.53 176.06 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -62.89 -51.49 66.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.36 50.66 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.66 133.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.03 127.21 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -129.48 106.27 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.98 150.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.4 -174.74 37.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 65.5 mt -106.68 129.98 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -39.46 130.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.32 -39.44 2.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -79.78 168.38 26.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 142.4 27.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.61 -36.57 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.88 126.9 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.24 121.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.57 156.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.85 112.64 7.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.746 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.91 163.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 82.5 t80 -69.87 -36.32 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -147.89 162.28 39.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -61.65 142.9 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 m -132.18 134.55 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -56.7 104.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.98 -36.37 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.95 -38.77 73.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -89.56 -14.78 34.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -64.95 143.85 57.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 m -153.34 130.17 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.557 ' CE3' HG21 ' A' ' 38' ' ' VAL . 25.2 p-90 -112.76 162.91 15.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.8 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 32' ' ' LYS . 56.8 mt -123.29 112.79 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.2 mm-40 -93.24 137.11 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.45 12.61 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.95 45.93 93.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -170.98 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' GLU . 57.5 t -82.05 116.52 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.2 t -90.9 116.63 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.1 p -104.31 143.46 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -128.27 131.88 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.562 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 31.2 t60 -115.24 116.79 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.5 mt -114.28 146.94 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -116.42 112.15 21.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.491 ' CG ' HD12 ' A' ' 19' ' ' LEU . 63.1 mttt -56.45 124.55 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mm -63.57 -23.72 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 88' ' ' LYS . 7.1 t30 -96.86 -59.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 89' ' ' MET . 7.1 pttt 90.3 128.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 36.3 mtp 76.05 53.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 16.6 tt0 -141.96 96.83 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.589 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 28.9 m0 -78.34 128.57 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 107.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -77.06 -12.0 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -176.82 123.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.538 HD11 ' CE3' ' A' ' 12' ' ' TRP . 16.0 tp -43.05 -55.56 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 m -121.32 163.01 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.424 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 39.3 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -98.59 138.25 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.502 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 48.4 p-90 -154.14 130.74 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -130.26 -153.28 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 173.2 -175.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 17' ' ' ALA . 1.5 t -155.83 53.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 44.23 26.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -151.09 -77.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 157.55 16.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.08 134.26 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.67 143.89 41.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -151.24 140.98 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.75 115.63 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -113.87 105.64 54.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' ' CD1' ' A' ' 49' ' ' LEU . 14.2 m-85 -138.2 147.19 43.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.34 76.93 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.46 163.48 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.04 13.37 18.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -138.58 179.6 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -97.88 105.26 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 36' ' ' VAL . 7.6 mt -55.71 126.07 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.16 -47.54 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.64 -13.26 4.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -87.1 -10.21 53.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.37 3.69 20.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' HD21 ' A' ' 31' ' ' LEU . 35.5 t -112.79 165.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.616 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -141.18 127.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 37' ' ' VAL . 75.8 t -146.35 92.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -88.33 99.53 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.8 89.98 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.77 167.81 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -54.65 -46.43 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 50.89 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -172.68 133.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 36.0 tp -135.09 112.3 10.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.3 ttm180 -119.03 115.93 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 92.7 t -134.33 120.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.624 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -164.5 92.75 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 48' ' ' GLY . 61.9 mt -20.22 114.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -37.09 117.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.93 -27.1 21.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -99.93 170.17 7.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.0 137.64 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 113.33 3.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.56 -33.27 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 8.7 t -112.43 108.65 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -152.53 110.85 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.02 174.59 37.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -87.46 118.03 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.7 mt -51.17 167.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 6.0 t80 -65.21 -32.27 73.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -167.32 -174.06 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.81 142.31 56.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.92 133.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.3 tttt -56.96 99.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -75.5 -30.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -17.85 55.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.97 -4.32 16.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -79.9 155.04 27.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.3 p -167.71 140.99 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -119.48 162.13 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -158.2 156.55 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 31' ' ' LEU . 5.2 mt -92.64 125.54 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.6 OUTLIER -103.21 137.87 40.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.52 15.68 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.11 43.88 93.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -168.24 -45.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.1 t -81.52 151.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -116.72 134.33 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 p -122.2 139.35 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.4 146.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -130.54 101.94 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.76 150.77 21.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.4 mt-10 -127.62 125.87 41.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 31.4 mttt -70.13 153.69 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 mm -79.12 -31.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -96.2 -48.23 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 66.89 61.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.24 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 152.89 44.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -103.12 124.13 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 18.4 m0 -78.13 143.09 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -106.97 1.86 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.28 153.45 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.3 tm? -66.18 -56.66 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -120.96 148.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.422 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 41.4 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.2 p90 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.467 0.175 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 22' ' ' ALA . 3.7 ptp180 -102.51 142.96 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -149.28 138.21 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p -139.39 172.79 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 16.2 pt20 -163.29 152.98 15.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.406 ' C ' ' N ' ' A' ' 17' ' ' ALA . 4.3 t -125.47 58.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.28 29.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -156.46 -77.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.24 160.94 13.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -120.09 127.76 52.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.81 130.74 54.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.53 142.4 47.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB2' ' CG ' ' A' ' 11' ' ' ARG . . . -144.9 126.95 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.21 103.27 16.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.94 43.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -134.14 167.89 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -98.11 89.86 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.0 169.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.59 7.09 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -139.91 174.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.74 99.75 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.4 140.4 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 5.9 mmtt -91.06 171.71 9.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.12 28.79 6.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.99 -42.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -63.15 -11.49 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -108.37 166.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 72.8 t -134.7 104.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 HG11 ' CG ' ' A' ' 71' ' ' TRP . 46.7 t -120.37 101.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 112.63 24.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG21 ' CD2' ' A' ' 83' ' ' LEU . 83.8 mt -113.2 100.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' C ' HG12 ' A' ' 66' ' ' VAL . 11.2 mm-40 -101.27 174.74 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.73 -57.16 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -129.72 54.2 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.359 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.471 ' CA ' HD23 ' A' ' 60' ' ' LEU . 2.3 t-80 -173.97 119.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.646 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 83' ' ' LEU . 60.1 tp -108.45 163.03 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -170.14 127.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.6 t -141.94 147.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.21 172.65 33.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 79.7 mt -95.65 130.78 42.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.0 tttm -40.14 127.48 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.97 -36.95 3.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -80.95 169.03 20.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.07 23.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.89 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -54.33 -35.14 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -115.51 142.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 t70 175.53 100.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.75 155.23 13.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 43' ' ' ARG . 21.6 tt0 -64.26 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -74.97 145.96 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 7.9 t80 -64.54 -8.84 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.6 t30 -167.51 124.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 71.9 mt-10 -34.13 116.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m -103.28 139.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.2 108.03 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -67.91 -34.05 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -44.67 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -82.48 8.38 11.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -89.69 152.79 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -167.45 132.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.51 ' CG ' HG11 ' A' ' 38' ' ' VAL . 30.2 p-90 -123.59 157.48 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.4 OUTLIER -157.82 161.81 38.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 4.0 mt -104.93 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER -68.44 128.37 36.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 48.33 23.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.04 37.67 7.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 1.8 pttp -126.19 -38.16 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -125.6 150.45 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.92 121.04 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.1 p -107.47 139.03 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.71 140.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.513 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 1.3 t60 -121.18 95.55 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 40' ' ' ILE . 16.4 mt -87.86 162.0 17.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.513 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.0 OUTLIER -137.81 131.35 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 15.1 mttt -79.69 127.32 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.5 mm -55.05 -22.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -137.95 105.56 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.53 60.59 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmm -134.79 -44.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.44 174.76 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 1.2 t-105 -120.12 131.88 55.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' O ' ' CE2' ' A' ' 91' ' ' TRP . 13.6 m0 -76.01 149.07 37.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 9.0 t-20 -100.5 -8.42 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -168.48 -160.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 96' ' ' VAL . 3.3 tm? -97.02 -52.05 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 95' ' ' LEU . 3.1 m -130.84 140.36 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' GLU . 69.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ptp180 -98.47 152.71 19.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -167.65 149.97 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -138.32 -169.1 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.1 pt20 -179.29 155.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 17' ' ' ALA . 2.8 t -124.52 59.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 40.45 29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -162.58 -69.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -95.22 160.83 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -127.6 138.07 52.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.71 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -135.89 144.01 45.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.52 130.26 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.91 102.19 14.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.94 149.06 36.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.56 139.06 50.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.92 80.91 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 31' ' ' LEU . 2.8 m -120.16 165.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.78 10.67 19.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.74 172.0 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.48 92.62 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD13 ' CG2' ' A' ' 27' ' ' VAL . 8.4 mt -41.9 126.65 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' HG13 ' A' ' 36' ' ' VAL . 17.4 mttt -87.66 167.33 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.92 56.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 3.7 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.88 5.68 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -127.99 166.68 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.3 t -136.8 101.05 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 54.7 t -119.86 103.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.41 77.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mt -68.31 106.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' HG2' ' N ' ' A' ' 44' ' ' HIS . 14.9 tt0 -91.87 157.13 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -55.52 -49.82 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -117.03 31.09 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 5.3 t-80 -168.06 160.23 11.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 46' ' ' ARG . 2.1 tt -143.69 130.28 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' N ' HD22 ' A' ' 45' ' ' LEU . 15.1 ttm105 -132.01 105.45 7.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' CG2' HD23 ' A' ' 45' ' ' LEU . 37.7 t -125.13 147.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 167.51 -172.85 42.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 90.3 mt -106.91 130.1 54.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -39.37 126.39 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -40.3 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.99 169.32 21.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 140.52 25.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.07 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -54.91 -39.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 126.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.87 104.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' ' CE1' ' A' ' 44' ' ' HIS . . . 170.06 142.74 3.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.5 tt0 -50.36 122.06 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 64' ' ' VAL . 42.5 mt -58.38 157.23 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 43.2 t80 -65.53 -36.51 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.03 150.31 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.46 136.06 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 60' ' ' LEU . 6.6 m -128.86 141.51 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -67.12 93.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 2.2 m -69.67 -37.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.09 -22.16 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -106.16 -22.56 12.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 m -54.37 147.44 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.4 p -152.09 138.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.517 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 51.5 p-90 -125.47 168.56 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -174.89 153.53 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 4.2 mt -93.79 106.7 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.09 134.73 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.452 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 0.5 OUTLIER 45.39 25.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.22 51.57 11.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HE2' ' CB ' ' A' ' 75' ' ' ASP . 1.3 pttt -144.69 -49.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -113.72 148.05 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 73' ' ' ILE . 3.0 t -100.26 127.79 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.6 p -110.93 144.93 39.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 83' ' ' LEU . 79.9 t -132.14 134.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -115.32 104.18 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -90.04 157.87 17.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -131.81 106.37 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 97.5 mttt -56.9 141.68 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -72.47 -48.04 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 88' ' ' LYS . 5.7 m120 -93.97 -19.54 20.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 33.75 56.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.21 33.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.78 130.8 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 28.8 t-105 -63.27 162.01 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 5.5 m0 -122.42 121.2 36.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 38.1 t30 -80.51 -1.74 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 176.99 149.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.16 -51.1 65.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 97' ' ' THR . 3.6 m -102.64 -121.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 96' ' ' VAL . 35.7 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CE2' HG23 ' A' ' 56' ' ' VAL . 19.8 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.507 0.194 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -102.45 143.34 32.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.562 ' CE3' HD12 ' A' ' 95' ' ' LEU . 37.8 p-90 -156.85 156.67 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -147.15 -162.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 172.32 175.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 15' ' ' THR . 1.8 t -142.65 37.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 5.8 mt 63.91 13.88 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.64 -61.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -107.22 158.03 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.613 ' CD1' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -124.64 121.07 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.07 139.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 10' ' ' TYR . 9.8 tp -142.43 144.42 33.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.07 123.93 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -121.79 104.83 38.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 143.51 28.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.51 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 92.77 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.514 ' CG2' HD22 ' A' ' 31' ' ' LEU . 2.8 m -140.03 172.37 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 8.63 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CZ ' HG11 ' A' ' 27' ' ' VAL . 22.6 p90 -131.69 169.52 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 135.67 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD22 ' CG2' ' A' ' 27' ' ' VAL . 1.7 mm? -81.38 121.24 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.2 mttp -89.36 159.01 17.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.7 -6.67 51.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' N ' ' HZ3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.49 18.02 15.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.74 8.49 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.19 167.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.549 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 88.7 t -131.71 98.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 71' ' ' TRP . 34.3 t -118.63 99.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.75 111.2 23.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG22 ' CG1' ' A' ' 66' ' ' VAL . 56.4 mt -102.29 114.38 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -113.56 -173.77 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.54 -49.12 61.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.401 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 3.0 ttt-85 -139.05 52.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -167.14 135.89 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 83' ' ' LEU . 14.6 tp -126.38 135.73 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -140.37 105.7 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 ' O ' ' CA ' ' A' ' 54' ' ' PRO . 93.1 t -115.96 155.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.22 165.59 15.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' CD1' ' OE1' ' A' ' 52' ' ' GLN . 12.5 mt -90.8 135.56 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.96 128.48 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.79 -41.78 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -84.74 167.88 24.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 144.69 30.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.422 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -74.97 112.88 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 t -56.84 -35.64 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' CE2' ' A' ' 10' ' ' TYR . 46.9 t -112.16 133.81 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -176.43 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.69 161.86 28.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -78.93 107.54 11.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -43.0 161.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB3' ' A' ' 92' ' ' TRP . 5.3 t80 -80.28 -30.55 38.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.472 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . 24.8 t30 -139.18 135.75 34.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 43' ' ' ARG . 4.5 mp0 -46.06 162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ARG . 14.8 m -148.6 146.24 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -73.91 115.03 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' SER . 1.4 t -71.8 -64.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -41.37 -28.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' VAL . 1.6 mm-40 -106.23 45.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' VAL . 19.1 m -143.3 146.67 33.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.5 p -151.7 177.69 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.552 ' CD1' HG13 ' A' ' 38' ' ' VAL . 54.8 p-90 -154.0 157.98 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 163.25 39.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mt -101.65 127.94 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -100.29 136.86 39.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.6 19.05 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.22 45.71 57.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.21 -42.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.2 t -90.14 138.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.4 109.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.3 p -95.4 144.55 25.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -131.01 134.49 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -115.55 111.9 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 45' ' ' LEU . 21.2 mt -107.31 144.26 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.64 122.34 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 21.8 mttp -63.5 149.95 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.45 -29.12 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.55 -41.48 6.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? 65.4 42.88 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 26.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.42 128.37 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -99.95 136.85 39.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.613 ' CH2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.77 162.8 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.08 -25.3 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -147.36 122.52 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.562 HD12 ' CE3' ' A' ' 12' ' ' TRP . 8.1 tp -35.11 -62.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -105.16 151.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.6 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.517 0.199 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -84.35 134.71 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CE3' HD23 ' A' ' 95' ' ' LEU . 39.3 p-90 -146.59 136.64 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.049 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 p -137.67 -168.1 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 pm0 -179.26 165.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -130.66 55.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 47.47 27.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' CA ' ' HD2' ' A' ' 85' ' ' LYS . . . -166.63 -69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -88.27 152.22 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.555 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.19 125.39 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.17 132.62 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 80' ' ' THR . 0.7 OUTLIER -137.12 135.26 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.29 129.34 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG11 ' CG1' ' A' ' 55' ' ' VAL . 12.0 t -132.07 105.01 13.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 147.73 34.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE2' ' CD1' ' A' ' 49' ' ' LEU . 20.1 m-30 -124.66 169.27 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.73 90.42 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -134.16 169.79 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 3.54 12.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -131.1 175.96 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.79 106.37 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.71 130.59 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mmmt -104.98 -172.86 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.35 42.4 2.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.49 -42.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.14 35.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.36 166.14 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 54.1 t -138.21 96.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 50.0 t -111.8 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.63 110.56 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 69' ' ' SER . 53.9 mt -102.84 101.65 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -104.67 179.25 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 6.2 tpp180 -66.51 -49.14 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -134.49 54.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -174.48 137.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -130.84 120.17 23.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.2 ttm180 -122.92 114.39 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 57.4 t -122.56 148.07 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.32 155.38 7.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.6 mm? -78.72 133.73 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.9 tttt -39.76 134.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.84 -43.64 2.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -71.33 170.42 11.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.03 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 23' ' ' VAL . 9.2 p -78.09 1.3 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 47' ' ' VAL . 8.8 t -151.9 134.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' ASP . 29.9 t0 -175.48 125.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.42 155.73 8.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' LEU . 54.4 tt0 -77.82 106.52 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 59' ' ' GLU . 46.6 mt -41.62 162.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 69.6 t80 -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -163.63 177.78 8.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.48 153.49 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 m -146.88 136.56 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 106.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.5 m -84.08 -24.82 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.03 -36.18 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.8 -14.94 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.447 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -51.16 157.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -167.12 129.86 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 47.0 p-90 -126.15 160.38 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -157.56 -179.57 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 23.0 mt -123.24 109.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -72.26 131.51 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.87 22.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.16 56.7 6.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.28 -49.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -108.68 141.06 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.85 115.16 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -101.97 133.03 47.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 82' ' ' HIS . 74.5 t -122.26 144.7 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.419 ' N ' HG11 ' A' ' 81' ' ' VAL . 18.3 t60 -129.31 113.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.613 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -109.17 149.46 29.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.43 121.4 40.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' HD2' ' CA ' ' A' ' 17' ' ' ALA . 85.4 mttt -60.82 158.31 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.8 -39.04 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -97.28 -35.12 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.55 47.44 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 mmt -115.33 -48.08 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.03 -171.0 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -122.54 127.07 49.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 33.8 m0 -62.63 139.19 58.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.421 ' CB ' ' NH1' ' A' ' 94' ' ' ARG . 1.7 m120 -83.92 -13.5 53.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -162.31 -162.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.6 tm? -96.55 -50.99 4.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.485 ' CG1' HD12 ' A' ' 95' ' ' LEU . 4.2 m -131.33 138.99 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.485 0.183 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -83.67 139.33 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.8 p-90 -148.55 137.29 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.9 p -138.68 -166.43 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -178.86 -166.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 15' ' ' THR . 11.9 t -168.48 57.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.52 30.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -151.59 -72.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -115.66 158.84 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -114.01 130.75 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 131.77 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 80' ' ' THR . 1.0 OUTLIER -132.1 133.9 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.29 131.76 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG11 ' CE1' ' A' ' 25' ' ' PHE . 82.0 t -131.93 102.3 14.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 23' ' ' VAL . 9.8 m-85 -107.9 144.36 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 9.9 ptt180 -75.12 85.4 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m -131.16 153.58 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 14.09 22.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -143.5 164.22 30.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 104.53 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.38 146.22 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' HG11 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -110.1 169.7 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.12 51.59 3.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.05 -45.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -8.02 50.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -112.52 166.86 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 58.3 t -134.46 101.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 38.3 t -117.81 107.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.44 104.9 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -91.73 107.14 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 4.6 tt0 -101.38 151.44 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.568 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -41.1 -48.07 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH1' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -134.34 41.72 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -160.75 143.18 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' CD2' HD12 ' A' ' 83' ' ' LEU . 7.5 tp -131.84 117.67 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttm180 -120.96 109.15 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 46.3 t -122.29 152.16 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.0 160.17 11.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.29 136.65 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.07 134.13 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.47 -43.83 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.33 170.49 14.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.99 155.34 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 114.39 4.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 56' ' ' VAL . 4.0 p -73.64 -1.75 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 47' ' ' VAL . 5.7 t -145.97 128.92 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -169.86 128.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 44' ' ' HIS . . . 158.1 154.05 6.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CD ' ' NH1' ' A' ' 43' ' ' ARG . 38.5 tt0 -72.09 116.36 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 64' ' ' VAL . 43.9 mt -51.11 166.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 32.8 t80 -61.14 -36.01 78.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -164.65 171.12 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 43' ' ' ARG . 72.7 mt-10 -54.79 139.39 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 60' ' ' LEU . 5.2 m -135.54 135.54 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.1 tttt -60.45 91.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -71.57 -31.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.25 -23.79 62.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -105.84 -9.8 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.5 m -71.63 137.32 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 p -139.73 132.95 29.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.523 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 40.1 p-90 -119.0 160.68 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.5 OUTLIER -162.43 167.82 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CG2' ' A' ' 79' ' ' VAL . 16.1 mt -108.37 110.47 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.35 143.38 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER 40.41 29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 37.05 51.64 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 6.9 pttt -143.47 -45.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' CG1' ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.66 148.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 73' ' ' ILE . 5.4 t -99.39 119.9 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -103.77 136.87 42.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -128.34 122.73 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 63.3 t60 -104.24 112.28 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.63 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 45' ' ' LEU . 22.0 mt -99.47 156.69 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -133.25 112.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.46 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 29.0 mttt -61.89 156.18 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 mm -80.66 -32.75 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.07 -43.21 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm 63.57 44.18 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.8 OUTLIER -165.46 31.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 3.4 tp10 -129.07 142.38 50.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 45.4 t-105 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 18.7 m0 -91.94 151.99 20.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.59 4.55 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' NH1' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -172.03 132.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.8 tm? -52.92 -51.96 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.8 148.41 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 21.4 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -108.41 147.18 31.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.402 ' CD1' ' HB2' ' A' ' 95' ' ' LEU . 19.4 p-90 -152.47 132.98 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 p -126.11 -167.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -179.93 172.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 t -136.79 37.44 2.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.9 12.7 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' CB ' ' HD2' ' A' ' 88' ' ' LYS . . . -146.5 -68.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -93.0 161.18 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.578 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -126.07 132.29 51.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.44 148.55 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 13.3 tp -149.7 146.08 27.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB2' ' CG ' ' A' ' 11' ' ' ARG . . . -144.55 117.32 8.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.36 104.62 47.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.02 153.89 41.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 19.8 m-85 -136.18 152.78 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.12 94.11 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 5.0 m -137.88 154.33 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -0.65 38.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' HG11 ' A' ' 27' ' ' VAL . 4.7 p90 -122.68 166.97 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.24 99.79 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.11 131.36 40.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -100.51 167.34 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.8 7.72 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -103.22 -19.66 14.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 17.9 22.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -117.8 170.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLY . 41.2 t -144.63 102.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 HG13 ' CD1' ' A' ' 71' ' ' TRP . 3.3 t -119.24 98.52 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.99 93.06 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 45' ' ' LEU . 81.2 mt -102.17 92.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.503 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 43.7 mm-40 -93.24 175.62 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.08 -58.56 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HG2' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -128.9 54.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.476 ' CA ' HD21 ' A' ' 60' ' ' LEU . 1.6 t-80 -173.44 113.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.622 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CB ' HD22 ' A' ' 60' ' ' LEU . 57.1 tp -101.78 160.3 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -171.57 121.79 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.98 150.9 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 160.64 162.66 12.74 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -85.61 136.27 33.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 130.24 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.07 -42.7 3.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -71.13 167.21 31.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.98 138.64 23.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 t -56.42 -32.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.07 143.13 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t0 176.79 106.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.19 164.67 28.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' HG2' ' A' ' 43' ' ' ARG . 22.7 tt0 -71.08 144.18 50.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -80.51 137.15 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . 19.6 t80 -51.96 -21.11 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 63' ' ' GLU . 6.7 t-20 -160.69 129.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 46.3 mt-10 -33.33 115.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' ARG . 4.5 m -103.27 130.2 53.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -62.56 106.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.503 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 1.5 m -65.48 -28.55 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -39.93 92.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.55 -2.88 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' HG23 ' A' ' 40' ' ' ILE . 58.5 m -79.6 144.71 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.28 167.12 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.523 ' CD1' HG13 ' A' ' 38' ' ' VAL . 38.4 p-90 -162.71 161.45 26.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.77 157.17 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.413 ' CD1' HG21 ' A' ' 36' ' ' VAL . 54.3 mt -97.1 112.86 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -89.91 147.3 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.18 23.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.19 33.6 30.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 -47.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.1 t -75.95 147.39 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.22 117.12 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.5 p -106.67 140.26 39.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 83' ' ' LEU . 58.3 t -128.76 139.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -126.09 103.23 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -94.13 172.39 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.7 123.18 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 34.1 mttt -65.77 160.55 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -89.69 -19.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.81 -55.02 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD2' ' CB ' ' A' ' 17' ' ' ALA . 5.5 mtmt 65.39 72.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.55 -42.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 163.09 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -106.69 119.68 39.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.578 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 21.3 m0 -71.44 154.02 41.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.023 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.582 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m-20 -112.48 -11.61 13.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -152.61 177.32 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.503 ' C ' ' NH2' ' A' ' 94' ' ' ARG . 1.7 tm? -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.409 ' CA ' HH21 ' A' ' 94' ' ' ARG . 0.7 OUTLIER -127.45 127.49 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 61' ' ' TYR . 43.5 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.478 0.18 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.0 ptp180 -110.49 152.76 25.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -163.2 157.34 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -149.14 -170.96 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -179.24 152.27 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 15' ' ' THR . 6.0 t -121.81 42.14 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 61.89 17.21 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.67 -74.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 159.26 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.87 129.14 51.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.44 144.82 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.1 tp -151.71 141.46 21.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.71 126.84 15.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 t -126.31 104.46 25.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.7 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.463 ' CG ' HD12 ' A' ' 49' ' ' LEU . 23.5 m-85 -134.56 152.95 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 86.21 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.553 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 5.6 m -129.62 163.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 5.35 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 10.8 p90 -126.45 175.59 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -96.25 99.58 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.52 143.99 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -100.19 -47.87 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 36' ' ' VAL . . . 138.52 -14.19 3.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -94.97 -2.03 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.23 5.81 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -122.18 165.35 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 1.9 m -128.63 114.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 71' ' ' TRP . 71.3 t -134.89 92.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.01 120.88 31.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.43 HD11 ' CG1' ' A' ' 81' ' ' VAL . 47.6 mt -113.22 91.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -101.01 161.27 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' N ' HG13 ' A' ' 66' ' ' VAL . 1.2 tpt180 -46.37 -62.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.56 47.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -165.7 130.67 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.6 tp -129.64 113.61 14.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -118.89 97.22 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.4 t -112.43 115.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 54' ' ' PRO . . . -153.63 -177.89 27.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 25' ' ' PHE . 12.5 mt -109.25 129.0 55.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -41.62 122.9 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.06 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.606 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 1.1 mp0 -81.63 165.78 41.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 141.43 26.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.01 144.64 30.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.67 -33.72 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -112.56 125.7 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -165.66 85.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.7 159.47 32.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.41 121.46 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.31 163.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.522 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 71.6 t80 -71.94 -36.9 70.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -153.55 142.9 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.04 148.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.11 135.09 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 7.9 tttt -59.94 97.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -71.11 -31.19 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.85 -20.23 63.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -114.75 5.34 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 m -84.69 155.64 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' HIS . 89.1 p -163.85 147.07 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.549 ' CD1' HG13 ' A' ' 38' ' ' VAL . 44.5 p-90 -131.21 158.74 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.11 174.23 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 mt -113.84 117.57 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -85.98 136.88 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 2.5 m-20 45.74 25.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.73 44.52 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -136.65 -44.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -115.74 145.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.3 t -95.06 124.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.76 140.84 41.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.43 ' CG1' HD11 ' A' ' 40' ' ' ILE . 24.8 t -123.77 143.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' SER . 66.3 t60 -126.27 107.37 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 164.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -136.15 107.52 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -52.99 153.14 3.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mm -78.5 -37.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -92.67 -39.42 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt 64.17 42.07 5.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.11 70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.1 tp10 178.55 136.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.418 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 65.8 t-105 -88.39 118.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 31.2 m0 -67.41 160.79 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.439 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.6 m-20 -114.01 -12.63 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -176.09 121.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' ARG . 13.7 tp -39.64 -55.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 m -120.61 147.76 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.505 0.193 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' CD ' ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -116.5 149.23 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 37.2 p-90 -151.45 137.46 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 p -136.94 -165.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' NE2' ' CH2' ' A' ' 91' ' ' TRP . 11.8 pm0 179.98 -178.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -143.13 33.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 2.9 mt 66.64 10.59 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' HG3' ' A' ' 88' ' ' LYS . . . -141.24 -65.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -118.31 132.6 56.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.81 130.32 56.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.78 144.01 49.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB1' ' CD ' ' A' ' 11' ' ' ARG . . . -144.7 123.97 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 t -125.72 103.38 28.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 18.5 Cg_endo -75.0 160.13 40.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.524 ' CD2' HD11 ' A' ' 49' ' ' LEU . 27.9 m-85 -142.61 148.82 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 86.52 5.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.63 159.7 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 9.02 40.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -141.16 168.41 19.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 1.2 mtt180 -79.4 111.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.61 129.31 41.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -107.62 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 22.52 14.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 1.26 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -142.33 39.76 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 30.6 t -130.68 171.16 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 50' ' ' LYS . 25.4 t -144.9 113.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.687 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 24.8 t -141.45 104.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.24 100.38 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.4 mt -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -121.66 -173.52 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -126.09 46.69 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HA ' HD21 ' A' ' 60' ' ' LEU . 2.6 t-80 -159.22 121.42 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 60' ' ' LEU . 39.3 tp -110.33 148.43 31.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 2.7 ttm180 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 81' ' ' VAL . 76.3 t -132.41 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.53 179.01 34.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 25' ' ' PHE . 69.8 mt -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 3.4 mttt -40.83 128.19 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.99 -41.4 3.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 168.58 26.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.64 29.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 107.72 2.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.76 -35.33 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 27.9 t -117.74 137.28 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -176.47 90.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.18 166.14 38.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 8.5 tt0 -75.12 144.36 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 0.813 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -78.65 148.11 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 5.6 t80 -66.18 -8.18 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' GLU . 12.5 t-20 -166.0 125.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' ASN . 38.4 mt-10 -36.07 116.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . 11.4 m -100.52 136.91 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' GLU . 20.9 tttt -67.87 113.82 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 69' ' ' SER . 1.6 t -67.72 -63.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.33 -29.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.4 mm-40 -104.89 44.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.8 m -147.2 151.12 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 p -158.29 -168.26 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.687 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 66.3 p-90 -163.6 156.88 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.0 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.14 176.66 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.458 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 13.6 mt -116.87 117.01 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -86.63 128.83 35.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.47 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 51.1 m-20 53.77 20.4 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.49 40.21 11.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 5.8 pttt -133.5 -45.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -114.43 143.28 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 19.2 t -93.11 134.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.411 ' OG1' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -119.19 138.93 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 47' ' ' VAL . 93.2 t -124.01 139.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -117.73 104.36 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.33 159.27 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -136.31 134.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 40.7 mttt -79.46 131.08 35.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mm -43.63 -27.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 85' ' ' LYS . 4.3 m-80 -147.11 149.32 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 3.3 ttpt -107.81 73.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.86 24.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.4 OUTLIER -150.52 137.74 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.473 ' CH2' ' NE2' ' A' ' 14' ' ' GLN . 39.7 t-105 -94.31 149.3 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 85' ' ' LYS . 18.3 m0 -95.47 157.62 15.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.486 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 33.5 t-20 -115.7 -10.9 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -167.44 138.48 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.2 tm? -39.11 -61.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.27 151.97 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 94' ' ' ARG . 41.0 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 p90 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.518 0.199 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.427 ' CG ' ' HB1' ' A' ' 22' ' ' ALA . 14.8 ptp180 -92.92 153.65 18.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 41.4 p-90 -158.33 133.26 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 11.3 p -132.66 -168.64 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.54 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.5 pt20 176.2 -174.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 t -154.06 57.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 45.78 28.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.62 -86.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -93.02 156.73 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -112.31 129.85 56.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.37 131.47 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -133.17 143.79 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 11' ' ' ARG . . . -140.95 132.1 26.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.84 105.87 14.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.77 42.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 14.2 m-85 -137.56 161.24 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 92.0 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 2.6 m -138.07 165.35 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.89 3.27 30.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 27' ' ' VAL . 4.2 p90 -122.17 164.42 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 105.64 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' HG22 ' A' ' 27' ' ' VAL . 2.9 mm? -48.4 123.71 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -100.71 160.7 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.4 51.62 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -45.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -84.93 7.58 20.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 32' ' ' LYS . 21.7 t -98.47 166.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' GLY . 54.4 t -146.5 102.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.702 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 13.4 t -125.38 100.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -97.55 92.41 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.1 mt -94.33 101.48 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -101.64 177.59 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -54.3 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.09 55.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -178.58 132.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.6 tp -116.46 165.2 13.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -169.54 102.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 81' ' ' VAL . 88.1 t -117.49 147.55 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 162.25 166.8 21.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.605 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -86.79 133.33 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -40.11 130.64 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.33 -41.87 3.04 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -73.13 167.55 33.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.764 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.98 139.36 24.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -54.6 -31.5 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.29 139.83 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.75 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' C ' HG22 ' A' ' 96' ' ' VAL . . . -150.26 164.25 29.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.577 ' N ' ' CG2' ' A' ' 96' ' ' VAL . 37.6 tt0 -83.51 98.14 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -41.52 160.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' ' NH2' ' A' ' 94' ' ' ARG . 2.4 t80 -62.73 -41.15 99.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.48 175.93 11.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -60.51 147.08 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.14 127.62 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -52.51 103.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.94 -35.98 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -27.59 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.79 -18.24 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.1 m -63.15 138.44 58.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -144.79 147.17 32.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.702 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 63.0 p-90 -134.22 157.71 45.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.4 175.85 13.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.462 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 3.5 mt -111.13 121.75 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -84.67 134.71 34.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 43.65 27.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 45.91 51.02 11.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.492 ' CE ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -157.32 -40.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.492 HG22 ' CE ' ' A' ' 77' ' ' LYS . 43.8 t -102.41 141.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.416 HG11 ' CG1' ' A' ' 47' ' ' VAL . 9.2 t -101.1 119.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.52 139.27 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 47' ' ' VAL . 75.8 t -126.08 114.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.406 ' CE1' ' CD ' ' A' ' 18' ' ' GLU . 47.3 t60 -99.44 93.3 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.55 -173.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -162.07 121.53 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 90' ' ' GLU . 96.2 mttt -71.12 131.96 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LYS . 16.9 mm -39.85 -50.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' LYS . 29.3 m-20 -155.92 58.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 37.72 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.4 mmt -56.3 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.41 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 1.6 pt-20 -162.4 -174.55 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.54 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 12.1 t-105 -79.56 82.77 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.064 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.462 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 34.0 m0 -42.22 150.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.543 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.1 m-80 -113.05 -2.33 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.682 ' HE ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.76 156.14 31.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.4 tm? -67.8 -49.2 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' CG2' ' N ' ' A' ' 59' ' ' GLU . 13.2 p -138.78 150.84 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.592 ' N ' ' NH1' ' A' ' 94' ' ' ARG . 44.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.565 ' CD1' HD12 ' A' ' 21' ' ' LEU . 25.0 p90 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 141.03 29.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 36.1 p-90 -153.62 140.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.405 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 82.7 p -133.46 -165.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 13' ' ' THR . 13.5 pm0 -177.3 149.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 17' ' ' ALA . 10.0 t -126.57 59.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.97 29.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -165.83 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 1.5 mt-10 -83.11 155.14 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.99 127.97 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.07 143.46 32.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 10' ' ' TYR . 16.4 tp -150.39 143.19 24.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.94 124.26 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 55' ' ' VAL . 48.7 t -123.41 102.4 36.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.0 150.68 38.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CG ' HD12 ' A' ' 49' ' ' LEU . 61.2 m-85 -134.04 134.76 42.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.6 mtp-105 -70.58 84.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.0 155.77 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.75 10.96 28.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -143.67 164.99 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' CG ' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -75.3 98.87 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 8.8 mt -49.43 127.44 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 24.9 mmmt -85.54 165.33 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -11.85 85.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 13.88 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.15 16.79 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 38.3 t -121.49 167.12 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -141.8 118.57 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 t -140.51 92.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 46' ' ' ARG . 5.2 t70 -93.98 87.32 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 83' ' ' LEU . 66.5 mt -87.26 91.19 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 15.4 mm-40 -92.49 172.61 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.68 41.22 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 2.2 t-80 -171.96 144.86 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.594 ' CD2' ' CG2' ' A' ' 47' ' ' VAL . 1.7 tt -138.51 119.59 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 20.3 ttm180 -124.23 89.75 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.594 ' CG2' ' CD2' ' A' ' 45' ' ' LEU . 55.6 t -109.1 124.42 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . -161.5 -158.44 9.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 25' ' ' PHE . 41.9 mt -124.63 127.99 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 1.3 mttm -43.42 117.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.21 -36.3 3.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.65 169.0 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 145.11 31.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.2 Cg_endo -75.06 126.37 9.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 23' ' ' VAL . 7.3 t -72.2 -38.75 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 12.7 t -109.26 125.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.24 123.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.9 158.17 8.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.82 114.82 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 64' ' ' VAL . 44.7 mt -49.41 164.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.515 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 5.3 t80 -63.25 -35.8 81.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.427 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 14.5 t-20 -161.3 161.54 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 69.7 mt-10 -50.93 142.15 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.43 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.4 m -138.28 138.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -60.03 101.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 42' ' ' ARG . 3.8 m -75.16 -37.49 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.94 -15.62 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -106.34 -11.31 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.24 171.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.0 p -178.24 133.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -129.91 159.31 37.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.002 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.3 OUTLIER -160.45 150.63 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 5.6 mt -91.69 106.79 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -75.45 131.51 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.49 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 7.1 m-20 44.37 27.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 30' ' ' ARG . . . 43.22 35.47 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 13.2 pttt -125.76 -39.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 ' CG1' ' HG3' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -126.99 151.66 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.48 128.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.5 p -106.87 145.38 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -131.38 143.23 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' GLU . 11.2 t60 -127.24 108.44 10.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -99.1 156.27 17.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -126.34 123.03 37.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -71.47 150.07 45.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -82.03 -41.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 88' ' ' LYS . 15.5 p30 -97.06 -27.29 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 5.5 ptpt 38.67 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -163.38 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.75 138.03 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -82.3 134.23 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.015 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.515 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 19.5 m0 -90.17 141.27 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.2 4.39 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.82 131.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.8 tm? -52.07 -52.23 52.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 95' ' ' LEU . 9.9 m -124.87 155.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 p90 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.491 0.186 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -100.73 146.77 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CE3' HD21 ' A' ' 95' ' ' LEU . 50.9 p-90 -153.69 146.39 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -141.48 -172.1 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -178.94 155.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.9 t -121.75 38.53 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt 64.12 14.52 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.448 ' HA ' ' CB ' ' A' ' 88' ' ' LYS . . . -141.55 -67.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.34 156.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -118.04 119.09 33.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.08 141.51 30.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.3 tp -139.07 141.8 38.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.54 121.32 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG13 ' CE1' ' A' ' 25' ' ' PHE . 57.4 t -124.93 103.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 138.59 23.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.44 ' CE1' HG13 ' A' ' 23' ' ' VAL . 13.7 m-85 -119.45 145.99 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -86.49 84.85 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.89 161.7 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 13.21 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.68 164.77 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 100.59 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' A' ' 49' ' ' LEU . 14.5 mt -54.18 136.04 43.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.463 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 3.0 mmtt -109.08 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.81 11.51 61.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 5.96 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -140.37 33.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 23.1 t -128.66 170.39 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -144.51 101.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 4.5 t -127.65 105.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -97.74 98.14 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 50.6 mt -89.86 113.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -115.77 -173.14 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -38.94 40.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.88 56.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -177.14 140.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' CD2' HD11 ' A' ' 83' ' ' LEU . 5.6 tp -129.5 121.19 26.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttp180 -124.04 113.79 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 49.1 t -124.26 153.94 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.25 159.58 10.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 31' ' ' LEU . 32.9 mt -82.95 137.67 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 132.89 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.37 -42.72 2.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.82 170.64 14.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.07 118.02 5.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.499 ' CG1' HG22 ' A' ' 56' ' ' VAL . 4.3 p -77.83 2.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' CG1' ' A' ' 55' ' ' VAL . 8.1 t -150.99 130.55 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -171.6 112.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.06 155.48 12.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.94 110.56 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -43.53 163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 78.6 t80 -68.94 -31.5 70.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -153.22 163.82 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.33 158.76 6.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.0 m -150.84 145.97 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.0 tttm -70.93 116.56 11.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -77.09 -64.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -41.92 -27.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.1 mm-40 -105.97 44.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' VAL . 1.7 m -143.06 160.95 39.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -162.28 -176.82 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.659 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 65.1 p-90 -156.94 161.62 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.056 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -161.73 177.39 9.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.463 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 20.5 mt -115.56 121.68 67.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -87.69 134.31 33.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 47.62 23.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.463 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 43.46 57.86 4.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' CE ' HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -153.53 -42.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG11 ' CE ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -115.89 144.79 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.15 130.9 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -116.31 140.8 48.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.48 148.45 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -122.31 107.59 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.614 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 45' ' ' LEU . 20.2 mt -102.72 141.44 35.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -116.56 120.4 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.97 156.05 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 mm -85.99 -47.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -93.45 -24.79 17.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 6.3 ptmt 40.57 75.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.3 tt0 -85.59 136.78 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 3.1 t-105 -86.17 134.24 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 22.8 m0 -80.16 153.17 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.33 -16.87 15.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.14 130.8 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.565 HD21 ' CE3' ' A' ' 12' ' ' TRP . 2.6 tm? -41.08 -57.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 m -123.56 146.42 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -101.81 151.63 21.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.2 p-90 -159.38 131.67 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 107.973 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.0 p -130.07 -165.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -178.84 169.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 15' ' ' THR . 14.3 t -139.76 60.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.93 30.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' LYS . . . -166.09 -83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.54 155.82 24.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -121.65 128.49 51.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.49 145.43 34.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 80' ' ' THR . 6.8 tp -149.9 146.31 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.64 118.4 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' HG11 ' A' ' 55' ' ' VAL . 55.4 t -112.35 100.07 48.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 122.32 7.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 12.9 m-85 -109.33 137.92 46.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 83.73 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.71 154.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 11.05 37.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -139.29 166.61 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 111.99 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mt -70.2 114.09 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 159.08 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 51.01 2.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -143.69 -44.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.9 15.74 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG12 ' CG2' ' A' ' 79' ' ' VAL . 15.2 t -111.39 168.56 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -145.31 121.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 47.6 t -147.32 92.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.93 99.79 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 69' ' ' SER . 33.5 mt -90.88 92.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' C ' HG11 ' A' ' 66' ' ' VAL . 17.8 mm-40 -96.59 170.55 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -55.76 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.3 51.25 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -159.9 133.21 6.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 21' ' ' LEU . 12.1 tp -128.34 111.09 12.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.6 ttm180 -116.79 117.76 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 40.9 t -135.15 123.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -161.19 89.2 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.7 mt -19.06 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -40.84 121.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.71 -35.73 4.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.94 168.67 16.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.321 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.7 38.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' CG2' ' A' ' 56' ' ' VAL . 3.7 p -73.42 -5.56 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 4.0 t -139.39 115.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -160.57 94.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.61 147.74 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -65.28 119.81 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.0 mt -52.06 162.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CE2' ' OD1' ' A' ' 62' ' ' ASN . 43.1 t80 -70.61 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.54 ' OD1' ' CE2' ' A' ' 61' ' ' TYR . 2.6 m120 -154.47 151.52 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -47.7 155.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.437 ' CA ' ' O ' ' A' ' 84' ' ' GLU . 5.2 m -147.34 129.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.96 99.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.403 HG11 ' C ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -74.63 -22.16 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.43 -11.77 61.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.02 -3.5 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' CB ' HG23 ' A' ' 40' ' ' ILE . 61.1 m -78.14 150.03 33.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 p -158.95 134.71 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.473 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 59.8 p-90 -117.68 157.33 26.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 107.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.17 -179.03 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 6.5 mt -118.18 129.06 75.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -102.41 132.6 48.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 36.6 m-20 55.7 17.26 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 47.97 40.82 20.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -137.09 -42.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -115.39 142.28 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' CG2' HG12 ' A' ' 36' ' ' VAL . 2.4 t -95.59 122.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -101.36 149.02 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.459 ' CG2' HD21 ' A' ' 21' ' ' LEU . 47.5 t -133.26 136.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -116.18 98.65 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -90.83 144.16 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -113.53 125.92 54.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 88' ' ' LYS . 96.9 mttt -73.81 132.99 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.9 mm -57.43 -59.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -19.79 23.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 85' ' ' LYS . 9.4 pttt 42.36 71.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -171.64 43.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.3 OUTLIER -168.93 136.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.432 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 7.9 t-105 -82.82 144.28 30.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.494 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 41.5 m0 -91.8 137.67 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 5.1 m-20 -89.67 -12.73 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -172.35 115.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 12.5 tp -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 m -120.38 152.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.416 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 36.5 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD1' HD23 ' A' ' 21' ' ' LEU . 19.5 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.534 0.207 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 17.1 ptt85 -101.95 153.61 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 31.5 p-90 -157.78 154.92 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -147.35 -158.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.441 ' N ' ' OG1' ' A' ' 13' ' ' THR . 14.6 pt20 170.5 178.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 p -142.7 48.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 46.72 26.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.89 -64.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -110.95 164.62 12.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD12 ' CZ3' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -104.05 158.18 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' THR . 58.8 m-20 -143.7 123.15 13.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.576 HD23 ' CD1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -134.3 146.94 50.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 11' ' ' ARG . . . -144.84 130.35 18.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE1' ' A' ' 25' ' ' PHE . 3.5 t -126.57 100.41 28.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.07 119.88 5.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.671 ' CE1' ' CG1' ' A' ' 23' ' ' VAL . 12.9 m-85 -102.12 118.61 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 86.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.477 ' CG2' HD21 ' A' ' 31' ' ' LEU . 5.7 m -130.99 -177.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.63 2.38 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.3 p90 -124.68 179.43 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.97 103.11 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 27' ' ' VAL . 1.9 mm? -51.52 122.52 8.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 20.3 mmtt -90.59 166.79 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 46.79 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.31 -45.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -92.5 34.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 11.6 t -126.78 168.74 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 47' ' ' VAL . 75.1 t -145.83 121.01 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 71' ' ' TRP . 37.8 t -145.26 92.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -90.35 87.5 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.429 HG22 ' CB ' ' A' ' 69' ' ' SER . 84.8 mt -84.07 88.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' C ' HG11 ' A' ' 66' ' ' VAL . 2.4 mm100 -94.03 170.28 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' HG11 ' A' ' 66' ' ' VAL . 1.7 tpt180 -49.32 -47.88 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.18 51.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -163.07 133.88 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.2 tp -130.47 108.07 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 17.2 ttm-85 -113.8 93.43 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 17.2 t -104.64 165.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.44 162.4 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.576 HD22 ' CD2' ' A' ' 25' ' ' PHE . 52.4 mt -76.89 128.06 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.6 tttt -39.28 135.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.76 -43.87 3.02 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -73.78 171.14 11.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.495 HG12 ' CG1' ' A' ' 23' ' ' VAL . 8.7 p -70.25 -7.28 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 21.9 t -136.16 116.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -157.94 138.79 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.63 157.49 7.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.3 113.88 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 95' ' ' LEU . 46.4 mt -45.45 164.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 90.0 t80 -59.18 -37.77 78.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -160.71 172.36 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' CB ' HG13 ' A' ' 86' ' ' ILE . 42.9 mt-10 -55.89 144.81 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 60' ' ' LEU . 3.7 m -141.49 129.69 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -52.66 100.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 42' ' ' ARG . 1.5 m -75.08 -22.11 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.92 -17.59 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.52 -11.9 14.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.429 ' CB ' HG22 ' A' ' 40' ' ' ILE . 3.2 m -65.01 151.56 45.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -152.73 135.64 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CD1' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -126.57 149.81 49.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD2' ' C ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -156.05 165.93 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.62 102.99 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.48 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 1.7 m-20 48.54 23.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.43 55.74 4.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 75' ' ' ASP . 15.6 pttt -156.76 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.446 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -112.88 135.26 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 25' ' ' PHE . 3.1 t -86.92 108.4 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.451 ' HB ' ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -94.41 145.11 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.6 t -135.38 148.52 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -136.31 118.14 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -105.76 140.87 38.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -101.75 116.07 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.483 ' HE3' ' CD2' ' A' ' 19' ' ' LEU . 69.3 mttt -61.79 143.56 56.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.408 HG13 ' CB ' ' A' ' 63' ' ' GLU . 12.2 mm -74.61 -29.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -108.14 -33.14 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' CG ' ' C ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER 40.7 73.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.47 -43.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.65 -169.31 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -124.43 135.81 53.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 29.2 m0 -81.9 119.42 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 108.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -65.72 -10.52 37.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -159.41 -155.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.478 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.2 tm? -117.15 -49.95 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.46 130.53 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.422 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.484 ' CD1' HG12 ' A' ' 55' ' ' VAL . 27.4 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 1.4 ptp180 -100.58 148.84 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 21.8 p-90 -157.83 132.78 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -129.14 -169.68 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 179.42 149.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -111.22 31.09 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.4 9.73 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.78 -49.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -115.71 160.32 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -123.12 123.82 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.86 150.31 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 80' ' ' THR . 15.7 tp -152.91 141.83 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.87 121.44 11.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 55' ' ' VAL . 48.1 t -120.44 102.35 45.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.75 24.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 49' ' ' LEU . 15.1 m-85 -122.79 138.5 54.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 84.08 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.42 160.04 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.12 10.14 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -138.25 164.23 29.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 89.6 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.91 136.21 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.7 mmtt -96.76 -169.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.41 36.61 4.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -135.58 -47.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.23 -9.36 31.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.53 164.04 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.511 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -134.8 99.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 42.3 t -117.69 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -98.65 110.06 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 HG12 ' CD1' ' A' ' 45' ' ' LEU . 85.4 mt -106.53 98.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.462 ' C ' HG12 ' A' ' 66' ' ' VAL . 6.5 mm100 -95.81 172.13 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -51.7 -56.85 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.2 52.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.44 ' CA ' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -171.77 120.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.624 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CB ' HD21 ' A' ' 60' ' ' LEU . 17.1 tp -115.35 131.66 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' ASP . 21.2 ttm180 -140.34 123.45 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 t -140.23 110.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' CG1' ' A' ' 37' ' ' VAL . . . -148.28 177.49 26.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 52' ' ' GLN . 98.2 mt -103.22 113.47 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -36.88 124.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.53 -28.5 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -100.05 171.4 5.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 132.71 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 145.59 31.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 10' ' ' TYR . 15.4 t -88.6 -34.7 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' HG ' ' A' ' 45' ' ' LEU . 21.2 t -114.55 134.43 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -176.81 95.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.0 158.28 19.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.22 143.21 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.25 145.37 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 6.5 t80 -63.08 -8.84 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' A' ' 63' ' ' GLU . 9.6 t-20 -167.52 125.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 52.5 mt-10 -33.99 117.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ARG . 4.7 m -104.59 127.86 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.8 tttt -60.55 106.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.3 m -67.67 -31.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -62.57 -30.21 71.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.27 2.54 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -91.03 138.22 31.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.1 m -151.24 134.88 16.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.514 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 p-90 -121.14 162.76 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.98 161.15 31.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 32' ' ' LYS . 9.5 mt -105.27 105.4 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' GLY . 1.3 mt-10 -72.7 136.92 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.48 27.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.87 49.78 4.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -140.39 -47.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.06 144.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.71 119.18 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -103.41 134.08 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.54 145.02 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -130.05 104.24 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -91.41 160.58 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -137.48 108.98 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 92' ' ' TRP . 10.7 mttt -59.75 145.72 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -72.14 -29.91 34.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 88' ' ' LYS . 28.0 m120 -101.46 -29.26 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 32.41 71.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -158.08 -43.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' ' SD ' ' A' ' 89' ' ' MET . 9.4 pt-20 -82.26 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 92' ' ' TRP . 2.1 t-105 -110.29 128.22 55.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.518 ' CD2' HD11 ' A' ' 19' ' ' LEU . 22.2 m0 -70.82 166.44 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.4 m-20 -114.57 -19.39 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -163.38 133.42 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.4 tm? -33.66 -61.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' CG1' HD11 ' A' ' 95' ' ' LEU . 1.6 m -122.42 165.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t 59.56 92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -125.8 -55.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.27 -54.14 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -106.58 140.59 39.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.16 158.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.2 169.94 22.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.418 ' CB ' HG23 ' A' ' 104' ' ' THR . 58.9 t-20 -136.99 -46.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -120.21 155.59 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -89.28 142.19 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 38.6 p-90 -158.79 162.56 37.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 14' ' ' GLN . 10.1 t -161.04 -147.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.177 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' N ' ' OG1' ' A' ' 13' ' ' THR . 3.3 pm0 177.13 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' ALA . 10.3 t -161.4 56.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.71 30.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -160.27 -85.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.4 pp20? -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -106.54 165.71 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -145.06 129.52 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.01 144.99 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.24 131.41 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.89 106.47 12.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.47 38.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 15.5 m-85 -135.32 146.19 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 84.46 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 2.6 m -122.46 167.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.34 10.54 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 7.7 p90 -137.1 176.76 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -93.98 93.74 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.05 138.77 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -109.34 168.99 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.67 52.08 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -143.15 -45.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -91.19 22.88 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -111.56 171.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 50' ' ' LYS . 75.9 t -144.43 116.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG13 ' CD1' ' A' ' 71' ' ' TRP . 22.2 t -141.82 106.29 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -107.56 80.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 83' ' ' LEU . 52.6 mt -77.84 95.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -97.19 172.58 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -60.84 -49.18 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.79 51.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 58' ' ' GLY . 4.2 t-160 -174.29 128.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 20.1 tp -120.18 107.27 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.19 119.25 37.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.1 t -128.7 158.52 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.45 -179.95 36.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 92.5 mt -105.19 133.51 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -44.62 125.89 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.12 -28.65 5.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -90.41 169.59 11.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.49 28.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.527 1.803 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 t -56.06 -32.71 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 45' ' ' LEU . 40.0 t -116.91 136.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -174.51 96.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -178.71 164.84 33.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.63 119.0 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 64' ' ' VAL . 17.3 mt -51.44 168.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 15.8 t80 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 63' ' ' GLU . 12.9 t-20 -178.76 161.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 57.7 mt-10 -50.91 150.97 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 60' ' ' LEU . 12.9 m -148.81 136.22 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.17 105.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 42' ' ' ARG . 2.7 m -80.43 -35.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -56.92 -29.58 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -105.29 29.04 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 p -90.71 176.4 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.78 169.02 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' CD1' HG13 ' A' ' 38' ' ' VAL . 61.0 p-90 -168.48 156.1 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.048 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.07 174.48 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mt -113.56 109.75 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -85.29 141.34 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.19 23.15 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.04 44.24 50.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -163.91 -54.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.1 t -71.11 130.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.32 116.47 44.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -107.0 138.18 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.1 t -120.51 143.38 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 65.0 t60 -115.75 109.5 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' CD1' ' CD2' ' A' ' 45' ' ' LEU . 17.4 mt -102.7 149.35 24.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.74 130.78 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -73.64 156.75 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mm -81.85 -31.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -101.7 -40.55 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.49 47.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 89' ' ' MET . 2.5 ppp? -168.19 45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -150.48 135.19 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -87.82 132.15 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.536 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 33.5 m0 -93.93 141.13 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.56 -2.72 35.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.14 148.96 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.6 tm? -66.56 -54.3 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 m -125.27 148.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.466 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 75.3 p -72.53 -32.16 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 p -127.63 107.98 10.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.87 162.0 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -143.68 -89.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 mt -87.5 173.46 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 104' ' ' THR . 5.5 m-80 -132.38 29.52 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 103' ' ' ASN . 9.2 t 47.46 -170.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 104' ' ' THR . 2.0 ptpt -94.79 179.87 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -40.7 -85.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -60.01 130.55 88.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -64.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.23 115.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -124.74 60.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.42 27.83 8.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -114.37 179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.06 108.83 10.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.0 p -43.64 107.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -170.65 82.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.9 mt -148.49 179.62 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -168.24 123.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.67 125.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 121' ' ' THR . 0.2 OUTLIER -126.78 -145.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 13.3 t -173.71 168.08 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.64 117.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.07 172.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -130.71 169.1 16.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.3 p -154.18 116.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.4 p -100.94 157.64 16.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -120.6 98.16 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.81 9.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.55 175.64 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 72.8 m -146.12 173.01 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -154.06 143.33 21.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t -89.92 154.19 20.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.79 120.71 1.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.06 73.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 55.77 101.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.02 160.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -29.54 46.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.438 ' CD1' HG11 ' A' ' 55' ' ' VAL . 36.0 p90 -143.04 162.42 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.486 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -106.68 143.54 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 12.3 p-90 -151.25 132.13 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -137.71 -164.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -178.64 161.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -122.37 35.5 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt 61.04 15.75 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.17 -53.46 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.7 OUTLIER -114.99 159.47 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -118.83 128.49 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.3 130.25 56.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.97 144.31 47.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.43 138.52 26.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.19 102.77 10.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 142.86 28.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 20.9 m-30 -125.74 148.83 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 87.34 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -132.58 163.97 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.0 9.59 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -136.67 -177.46 4.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.52 99.26 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.72 140.0 52.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 15.6 mttt -101.54 -171.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 26.39 22.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -119.63 -37.4 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 0.805 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.21 35.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.537 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -146.98 165.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.537 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 97.7 t -136.3 96.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 44.5 t -116.53 99.6 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.53 110.71 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 78.3 mt -104.63 93.41 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' C ' HG11 ' A' ' 66' ' ' VAL . 4.8 mm100 -94.23 170.67 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -57.5 -50.61 72.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.72 51.94 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -172.76 137.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.2 tp -127.49 140.41 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -144.36 107.9 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.15 149.37 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 158.33 166.34 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.404 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 57.0 mt -84.24 139.55 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.63 126.44 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.67 -41.4 2.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.75 168.21 13.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.39 20.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 10' ' ' TYR . 13.6 t -56.14 -36.84 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 20.9 t -113.51 130.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -172.31 105.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.58 172.75 42.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.25 119.61 25.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -58.87 166.32 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 5.0 t80 -67.41 -36.54 81.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -151.67 -177.89 6.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.9 152.78 38.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.6 m -143.34 133.26 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.8 tttt -55.95 103.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.1 m -79.56 -22.38 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -22.91 61.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.48 -3.95 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.5 m -77.18 139.91 40.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.0 p -147.12 140.51 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 50.5 p-90 -125.99 160.03 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 80' ' ' THR . 0.2 OUTLIER -154.95 173.66 16.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 32' ' ' LYS . 30.2 mt -116.14 105.99 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.69 134.2 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 48.31 24.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 42.58 47.73 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -137.97 -46.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.96 141.61 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' CG2' HG12 ' A' ' 73' ' ' ILE . 2.5 t -93.16 114.11 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -96.8 133.99 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.02 133.51 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 69.7 t60 -119.52 105.16 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 132.86 36.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -103.97 103.81 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 92.3 mttt -50.85 155.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.9 mm -75.02 -64.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 74.8 m-20 -89.81 -15.35 32.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER 47.36 25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -125.47 47.64 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -155.45 143.99 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -98.52 137.51 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.422 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 20.3 m0 -99.73 143.32 30.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -108.86 -0.7 19.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.485 ' NH1' ' CE2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -169.85 127.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.7 tm? -43.26 -54.89 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.08 152.75 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.0 p -75.96 -29.57 58.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -123.67 84.58 2.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 102' ' ' ILE . 46.0 p-10 -65.11 140.59 98.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -60.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.4 pt-20 -38.4 -50.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 103' ' ' ASN . 46.3 mt 64.37 166.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.464 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 1.3 t-20 -48.52 -56.51 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.6 p -71.07 126.95 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.05 -177.4 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 107' ' ' ILE . 8.8 tttt -51.38 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -33.27 -80.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -128.61 137.81 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 70.36 109.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.4 173.3 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 91.33 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.58 176.03 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.6 109.88 6.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 m -119.49 85.79 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.73 88.87 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.45 155.53 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.25 152.92 22.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.7 t -174.56 120.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -167.72 124.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 t -140.78 167.15 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.68 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 t -152.07 173.55 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.22 112.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.2 p -140.45 101.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 147.37 51.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -168.58 97.24 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.61 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.1 p -172.46 169.93 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t -177.92 170.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -67.37 148.78 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -131.57 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.56 -145.23 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -98.44 -171.96 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 p -141.49 168.8 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.24 147.95 10.75 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -153.08 -46.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -77.68 158.76 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -100.51 138.25 37.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 20' ' ' ASP . 48.6 p -122.57 -165.18 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 179.94 171.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -143.59 41.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt 58.59 17.01 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.59 -69.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -95.37 155.68 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.42 121.25 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CB ' ' OG1' ' A' ' 13' ' ' THR . 0.5 OUTLIER -99.59 144.75 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -146.82 136.52 23.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.28 117.89 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.0 105.16 45.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.12 42.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.651 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 15.8 m-85 -135.65 162.12 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.98 98.17 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.576 HG12 ' CE1' ' A' ' 29' ' ' PHE . 1.5 m -141.55 165.88 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.44 12.76 22.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CE1' HG12 ' A' ' 27' ' ' VAL . 45.1 p90 -137.33 175.51 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 128.26 34.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 27' ' ' VAL . 3.9 mm? -68.11 128.43 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 10.4 mttt -100.62 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.86 -18.05 70.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -1.4 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.89 -4.9 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 29.3 t -101.73 168.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -146.07 118.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 71' ' ' TRP . 43.1 t -139.62 105.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -99.55 96.7 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 HG21 ' CB ' ' A' ' 69' ' ' SER . 49.3 mt -93.5 96.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 12.3 mm-40 -101.78 177.1 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.2 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.72 49.97 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -166.02 129.38 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 83' ' ' LEU . 18.7 tp -119.93 148.33 43.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 112.14 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' ' CA ' ' A' ' 54' ' ' PRO . 90.1 t -122.62 160.88 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.2 162.67 10.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -84.38 131.95 34.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -40.09 130.44 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -41.54 3.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.59 167.06 38.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.92 17.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.02 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -55.62 -32.39 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.15 134.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.39 81.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.01 166.23 33.45 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.18 112.9 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 mt -46.82 165.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 5.5 t80 -73.06 -26.71 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -159.18 172.49 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.79 155.2 38.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.7 m -149.81 137.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLU . 12.0 tttt -62.3 108.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.2 m -78.97 -37.86 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.91 -20.25 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.8 25.81 10.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.446 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.3 m -104.55 161.78 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.5 p -162.55 -179.42 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.575 ' CD1' HG11 ' A' ' 38' ' ' VAL . 64.4 p-90 -167.24 153.62 8.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -154.17 176.32 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.19 126.12 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -94.91 144.75 25.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.5 22.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 47.93 52.91 15.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.468 ' CD ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -171.86 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.336 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CD ' ' A' ' 77' ' ' LYS . 99.6 t -90.69 143.74 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.4 t -101.07 138.34 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.91 140.21 47.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.56 153.34 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -129.58 107.81 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' A' ' 45' ' ' LEU . 40.5 mt -104.45 154.9 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -129.98 132.08 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -75.95 151.93 37.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.8 mm -76.26 -48.74 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.35 -39.58 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.79 49.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.4 ' O ' ' SD ' ' A' ' 89' ' ' MET . 1.9 ppp? -161.05 26.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -132.02 137.8 47.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -91.36 134.79 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 107.95 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.558 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 34.9 m0 -95.9 141.66 29.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -98.66 -3.95 34.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -173.42 150.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.51 -56.76 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 m -127.49 152.35 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.422 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 40.6 p -74.55 -31.19 62.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.61 119.63 15.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -85.02 158.81 58.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 7.3 pt-20 -149.77 106.11 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.3 pt -71.7 149.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -107.65 -30.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.8 p -78.72 174.82 11.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -152.12 163.57 39.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.19 146.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.5 mt -62.65 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -161.88 151.06 13.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -123.89 -137.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 166.88 168.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.5 p -129.14 92.55 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 133.09 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.51 75.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.0 77.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.93 90.96 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.12 -178.18 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -60.73 128.43 36.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.02 100.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.26 97.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.8 t -67.7 161.64 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.11 147.49 32.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.28 140.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -153.81 143.0 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.53 -147.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.07 170.05 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -153.21 96.07 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.66 9.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.31 167.2 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.6 t -162.93 169.84 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 69.8 -61.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.969 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.24 125.37 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.05 -80.39 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 161.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.58 121.1 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.4 141.47 3.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 18.5 Cg_endo -74.94 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 108' ' ' ASN . 2.0 m-20 -110.45 36.54 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 18.3 p90 -156.4 169.61 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -103.93 144.6 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 43.6 p-90 -153.93 128.03 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 p -126.07 -160.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 174.19 170.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -128.99 34.03 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 1.0 OUTLIER 65.85 11.69 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.77 -56.15 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.85 156.13 19.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.569 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -115.82 130.82 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.6 146.19 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 tp -149.98 141.88 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.7 117.0 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.1 t -117.04 104.17 51.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.88 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 49' ' ' LEU . 20.2 m-85 -133.96 145.44 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.44 91.86 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.553 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 7.0 m -138.13 166.07 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.1 0.44 13.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HG11 ' A' ' 27' ' ' VAL . 21.3 p90 -120.18 169.3 10.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -88.77 108.45 19.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.69 127.78 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -93.22 175.74 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.75 -12.56 80.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HG2' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -105.23 11.25 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -11.99 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -117.72 167.22 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.2 t -134.75 97.11 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 13.6 t -111.38 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -101.73 101.51 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -98.3 98.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -99.22 175.43 5.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -61.59 -52.23 65.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.1 52.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.94 136.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -130.68 116.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -120.16 116.02 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' CA ' ' A' ' 54' ' ' PRO . 65.8 t -129.73 149.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.6 154.63 7.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 25' ' ' PHE . 1.4 mm? -76.78 127.98 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 5.0 tttt -38.19 129.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.22 -39.61 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -77.02 167.5 36.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.99 119.32 5.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.22 -31.93 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -119.72 139.08 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' HB3' ' A' ' 100' ' ' PRO . 39.9 t0 179.49 37.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' CA ' HG13 ' A' ' 96' ' ' VAL . . . -111.71 164.59 12.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.89 105.69 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD12 ' CG2' ' A' ' 64' ' ' VAL . 63.3 mt -43.67 159.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 51.1 t80 -50.77 -33.34 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.84 -177.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -54.14 145.75 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' CG2' HD12 ' A' ' 60' ' ' LEU . 9.7 m -147.85 134.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.91 105.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.45 -36.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.18 3.89 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 p -78.56 162.35 26.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.4 p -167.94 135.28 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 37.2 p-90 -131.33 161.04 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.57 168.81 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 36' ' ' VAL . 41.5 mt -109.77 113.09 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -83.59 145.43 28.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.35 30.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 45.14 38.33 6.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.77 -50.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 74' ' ' GLU . 54.6 t -78.1 146.29 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.21 114.99 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.8 p -103.59 152.52 21.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.19 143.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 10.2 t60 -125.74 101.81 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.608 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.97 143.24 26.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -115.14 122.91 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 87.1 mttt -70.99 137.82 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.4 -49.71 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 33.0 m-80 -88.98 -33.22 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 9.8 pttt 44.68 60.15 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.56 23.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.39 124.61 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -70.08 142.72 52.61 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.569 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 40.2 m0 -91.18 153.4 20.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -119.76 14.66 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.485 ' CD ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -178.19 124.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.3 tm? -52.17 -50.12 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.559 ' CG2' ' HA ' ' A' ' 99' ' ' ASP . 6.3 m -120.23 174.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.485 HG22 ' CD ' ' A' ' 94' ' ' ARG . 69.8 p -117.54 -30.84 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 99' ' ' ASP . 58.3 m -119.7 11.3 11.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.559 ' HA ' ' CG2' ' A' ' 96' ' ' VAL . 0.0 OUTLIER 51.69 172.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.454 ' HB3' ' N ' ' A' ' 57' ' ' ASP . 18.3 Cg_endo -74.96 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -143.8 -51.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.6 mt -110.24 162.44 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -172.8 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p 42.45 -165.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -97.46 50.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.17 117.05 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 9.9 mt -81.98 -65.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.446 ' OD1' ' ND2' ' A' ' 9' ' ' ASN . 1.2 t30 -172.17 152.74 2.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.63 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.81 110.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -149.99 96.44 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -164.38 169.39 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -100.63 179.47 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.46 109.72 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -120.35 77.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -129.87 90.51 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -107.78 172.19 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -170.75 167.06 7.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.45 97.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -124.71 99.78 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.6 t -127.17 164.34 21.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 166.5 140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 p -175.27 166.55 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -169.18 133.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.539 ' CG1' ' N ' ' A' ' 126' ' ' SER . 3.1 p -129.83 -146.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.539 ' N ' ' CG1' ' A' ' 125' ' ' VAL . 0.6 OUTLIER 170.93 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.76 108.34 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.73 4.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.5 164.75 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.94 164.02 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.04 118.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -39.56 115.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 86.16 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.21 149.12 11.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m 55.69 168.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.19 -168.44 39.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -53.96 -24.8 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -166.28 159.91 15.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' CG ' ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -98.38 148.6 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CE3' HD11 ' A' ' 95' ' ' LEU . 26.4 p-90 -159.06 134.73 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -137.35 -160.85 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 9.3 pm0 179.81 167.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 15' ' ' THR . 9.0 t -131.49 56.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 89' ' ' MET . 0.2 OUTLIER 39.62 34.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -159.82 -69.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -105.46 173.42 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -126.27 140.34 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -125.73 128.43 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -131.34 143.49 50.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB1' ' CG ' ' A' ' 11' ' ' ARG . . . -144.41 128.4 17.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.43 105.08 21.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.77 41.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -132.95 140.66 47.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.08 86.02 6.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 77' ' ' LYS . 4.8 m -128.1 162.88 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.15 7.79 16.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -137.21 168.61 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 114.54 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.75 132.06 43.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 19.7 mmtt -90.53 -173.67 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.45 13.79 61.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -25.02 7.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -91.48 20.12 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -137.83 166.32 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.548 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 57.8 t -134.03 100.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.557 HG21 ' CE3' ' A' ' 71' ' ' TRP . 53.8 t -117.38 98.85 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.34 112.07 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -106.43 99.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 29.9 mm-40 -103.53 176.06 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -62.89 -51.49 66.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.36 50.66 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.66 133.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.1 tp -130.03 127.21 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -129.48 106.27 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.98 150.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.4 -174.74 37.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 65.5 mt -106.68 129.98 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -39.46 130.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.32 -39.44 2.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -79.78 168.38 26.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 142.4 27.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.61 -36.57 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.88 126.9 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.24 121.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.57 156.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.85 112.64 7.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.746 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.0 mt -46.91 163.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 82.5 t80 -69.87 -36.32 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -147.89 162.28 39.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -61.65 142.9 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 m -132.18 134.55 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -56.7 104.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.98 -36.37 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.95 -38.77 73.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -89.56 -14.78 34.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -64.95 143.85 57.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 m -153.34 130.17 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.557 ' CE3' HG21 ' A' ' 38' ' ' VAL . 25.2 p-90 -112.76 162.91 15.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.8 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 32' ' ' LYS . 56.8 mt -123.29 112.79 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.2 mm-40 -93.24 137.11 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.45 12.61 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.95 45.93 93.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -170.98 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' GLU . 57.5 t -82.05 116.52 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.2 t -90.9 116.63 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.1 p -104.31 143.46 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.8 t -128.27 131.88 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.562 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 31.2 t60 -115.24 116.79 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.5 mt -114.28 146.94 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -116.42 112.15 21.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.491 ' CG ' HD12 ' A' ' 19' ' ' LEU . 63.1 mttt -56.45 124.55 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mm -63.57 -23.72 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 88' ' ' LYS . 7.1 t30 -96.86 -59.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 89' ' ' MET . 7.1 pttt 90.3 128.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 36.3 mtp 76.05 53.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 16.6 tt0 -141.96 96.83 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.589 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 28.9 m0 -78.34 128.57 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 107.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -77.06 -12.0 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -176.82 123.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.538 HD11 ' CE3' ' A' ' 12' ' ' TRP . 16.0 tp -43.05 -55.56 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 m -121.32 163.01 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.424 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 39.3 p -92.25 -28.58 16.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.13 99.17 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.02 157.83 78.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -75.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -115.82 -58.89 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.47 155.39 8.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.82 -42.57 6.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 t -164.89 -167.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -116.93 153.65 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 111.72 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.3 mm -95.12 -70.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -79.96 156.27 74.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 111' ' ' ASN . 0.1 OUTLIER -125.4 -139.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 110' ' ' GLU . 2.2 t-20 172.04 145.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -148.11 76.3 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -146.52 178.57 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.08 110.03 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.56 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.6 89.34 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tp -107.48 122.2 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -171.46 122.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.87 97.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -129.51 -147.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 t -171.79 169.46 5.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.09 124.4 41.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.5 p 179.84 171.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.86 152.73 20.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.9 t -125.57 -141.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.5 p 176.66 123.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -163.55 106.63 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.31 3.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.99 173.09 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.57 155.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.18 -59.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.801 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -86.35 -58.5 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.47 176.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -173.8 164.67 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.736 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.67 158.81 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.07 -148.94 1.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.8 -19.36 40.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -135.18 159.59 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -98.59 138.25 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.502 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 48.4 p-90 -154.14 130.74 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.6 p -130.26 -153.28 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 173.2 -175.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 17' ' ' ALA . 1.5 t -155.83 53.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 44.23 26.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -151.09 -77.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 157.55 16.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.08 134.26 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.67 143.89 41.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -151.24 140.98 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -143.75 115.63 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -113.87 105.64 54.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' ' CD1' ' A' ' 49' ' ' LEU . 14.2 m-85 -138.2 147.19 43.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.34 76.93 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.46 163.48 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.04 13.37 18.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -138.58 179.6 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -97.88 105.26 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 36' ' ' VAL . 7.6 mt -55.71 126.07 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.16 -47.54 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.64 -13.26 4.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -87.1 -10.21 53.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.37 3.69 20.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' HD21 ' A' ' 31' ' ' LEU . 35.5 t -112.79 165.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.616 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -141.18 127.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 37' ' ' VAL . 75.8 t -146.35 92.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -88.33 99.53 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.8 89.98 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.77 167.81 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -54.65 -46.43 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 50.89 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -172.68 133.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 36.0 tp -135.09 112.3 10.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.3 ttm180 -119.03 115.93 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 92.7 t -134.33 120.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.624 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -164.5 92.75 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 48' ' ' GLY . 61.9 mt -20.22 114.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -37.09 117.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.93 -27.1 21.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -99.93 170.17 7.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.0 137.64 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 113.33 3.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.56 -33.27 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 8.7 t -112.43 108.65 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -152.53 110.85 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.02 174.59 37.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -87.46 118.03 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.7 mt -51.17 167.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 6.0 t80 -65.21 -32.27 73.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -167.32 -174.06 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.81 142.31 56.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.9 m -137.92 133.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.3 tttt -56.96 99.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -75.5 -30.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -17.85 55.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.97 -4.32 16.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -79.9 155.04 27.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.3 p -167.71 140.99 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -119.48 162.13 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -158.2 156.55 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 31' ' ' LEU . 5.2 mt -92.64 125.54 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.6 OUTLIER -103.21 137.87 40.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.52 15.68 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.11 43.88 93.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -168.24 -45.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.1 t -81.52 151.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -116.72 134.33 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 p -122.2 139.35 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.4 146.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -130.54 101.94 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.76 150.77 21.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.4 mt-10 -127.62 125.87 41.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 31.4 mttt -70.13 153.69 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 mm -79.12 -31.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -96.2 -48.23 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 66.89 61.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.24 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 152.89 44.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -103.12 124.13 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 18.4 m0 -78.13 143.09 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -106.97 1.86 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.422 ' NH1' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.28 153.45 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.3 tm? -66.18 -56.66 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -120.96 148.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.422 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 41.4 p -72.55 -30.93 64.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 p -117.41 94.19 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.407 ' CB ' ' HB2' ' A' ' 103' ' ' ASN . 4.4 p30 -65.46 139.98 97.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -89.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -102.55 -38.59 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.0 mt -119.03 160.72 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 99' ' ' ASP . 52.8 t30 -152.49 -62.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 44.8 p -119.01 147.38 44.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.42 138.22 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.15 145.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.2 mp -48.01 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -139.2 140.63 26.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -69.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -157.76 106.8 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -139.87 162.74 34.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 m -136.84 98.45 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 175.18 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.81 96.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.99 81.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.8 67.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -79.08 155.79 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -124.98 140.87 52.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.74 123.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.16 103.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.445 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 8.8 t -124.72 153.94 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 121' ' ' THR . 0.5 OUTLIER -177.89 164.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.98 163.5 28.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.0 130.16 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.88 122.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.7 t -163.05 152.41 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.64 154.97 15.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 p -155.69 168.56 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.5 p -155.67 164.07 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -115.41 142.08 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -68.66 168.52 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.73 176.11 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.31 170.95 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.776 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.79 107.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 173.24 12.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.534 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.01 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -103.55 37.48 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 20.2 p90 -161.71 165.29 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 22' ' ' ALA . 3.7 ptp180 -102.51 142.96 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -149.28 138.21 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p -139.39 172.79 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 16.2 pt20 -163.29 152.98 15.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.406 ' C ' ' N ' ' A' ' 17' ' ' ALA . 4.3 t -125.47 58.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.28 29.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -156.46 -77.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.24 160.94 13.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -120.09 127.76 52.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.81 130.74 54.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.53 142.4 47.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB2' ' CG ' ' A' ' 11' ' ' ARG . . . -144.9 126.95 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.21 103.27 16.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 154.94 43.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -134.14 167.89 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -98.11 89.86 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.0 169.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.59 7.09 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -139.91 174.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.74 99.75 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.4 140.4 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 5.9 mmtt -91.06 171.71 9.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.12 28.79 6.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.99 -42.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -63.15 -11.49 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -108.37 166.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 72.8 t -134.7 104.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG11 ' CG ' ' A' ' 71' ' ' TRP . 46.7 t -120.37 101.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 112.63 24.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG21 ' CD2' ' A' ' 83' ' ' LEU . 83.8 mt -113.2 100.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' C ' HG12 ' A' ' 66' ' ' VAL . 11.2 mm-40 -101.27 174.74 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.73 -57.16 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -129.72 54.2 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.359 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.471 ' CA ' HD23 ' A' ' 60' ' ' LEU . 2.3 t-80 -173.97 119.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.646 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 83' ' ' LEU . 60.1 tp -108.45 163.03 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -170.14 127.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.6 t -141.94 147.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.21 172.65 33.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 79.7 mt -95.65 130.78 42.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.0 tttm -40.14 127.48 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.97 -36.95 3.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -80.95 169.03 20.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 139.07 23.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.89 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -54.33 -35.14 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -115.51 142.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 t70 175.53 100.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.75 155.23 13.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 43' ' ' ARG . 21.6 tt0 -64.26 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -74.97 145.96 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 7.9 t80 -64.54 -8.84 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.6 t30 -167.51 124.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 71.9 mt-10 -34.13 116.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m -103.28 139.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.2 108.03 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -67.91 -34.05 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -44.67 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -82.48 8.38 11.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 p -89.69 152.79 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -167.45 132.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' CG ' HG11 ' A' ' 38' ' ' VAL . 30.2 p-90 -123.59 157.48 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.4 OUTLIER -157.82 161.81 38.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.431 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 4.0 mt -104.93 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER -68.44 128.37 36.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 48.33 23.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.04 37.67 7.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 1.8 pttp -126.19 -38.16 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -125.6 150.45 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.92 121.04 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.1 p -107.47 139.03 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.71 140.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.513 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 1.3 t60 -121.18 95.55 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 40' ' ' ILE . 16.4 mt -87.86 162.0 17.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.513 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.0 OUTLIER -137.81 131.35 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 15.1 mttt -79.69 127.32 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.5 mm -55.05 -22.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -137.95 105.56 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.53 60.59 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmm -134.79 -44.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.44 174.76 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 1.2 t-105 -120.12 131.88 55.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' O ' ' CE2' ' A' ' 91' ' ' TRP . 13.6 m0 -76.01 149.07 37.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 9.0 t-20 -100.5 -8.42 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -168.48 -160.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 96' ' ' VAL . 3.3 tm? -97.02 -52.05 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 95' ' ' LEU . 3.1 m -130.84 140.36 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' GLU . 69.0 p -47.02 -34.03 5.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 p -140.35 130.67 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.27 154.33 42.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -68.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.04 -73.41 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 mt -108.6 159.74 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -113.91 -52.75 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.4 p -125.39 -176.64 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 44.23 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -58.33 177.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.4 mm -98.17 -64.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -76.14 155.84 84.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.44 117.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.85 99.48 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.23 167.41 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.14 152.42 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.14 23.78 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 78.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.2 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.28 175.07 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.1 168.8 10.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.9 p -141.85 102.69 4.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.08 99.46 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -103.15 158.66 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.84 173.26 10.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 167.23 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.41 164.19 24.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 126' ' ' SER . 2.3 p -122.51 -152.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.475 ' N ' ' CG1' ' A' ' 125' ' ' VAL . 87.3 p 179.4 142.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.64 135.92 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -177.27 3.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.2 p -145.45 163.99 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.13 144.51 38.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -87.42 162.91 17.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.68 -58.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.79 124.25 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -148.64 158.04 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.78 148.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.11 169.09 14.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.5 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -142.73 -46.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -76.79 158.7 30.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ptp180 -98.47 152.71 19.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -167.65 149.97 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -138.32 -169.1 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.1 pt20 -179.29 155.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 17' ' ' ALA . 2.8 t -124.52 59.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 40.45 29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -162.58 -69.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -95.22 160.83 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -127.6 138.07 52.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.71 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -135.89 144.01 45.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.52 130.26 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.91 102.19 14.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.94 149.06 36.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -130.56 139.06 50.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.92 80.91 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 31' ' ' LEU . 2.8 m -120.16 165.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.78 10.67 19.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.74 172.0 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.48 92.62 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD13 ' CG2' ' A' ' 27' ' ' VAL . 8.4 mt -41.9 126.65 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' HG13 ' A' ' 36' ' ' VAL . 17.4 mttt -87.66 167.33 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.92 56.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 3.7 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.88 5.68 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -127.99 166.68 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.3 t -136.8 101.05 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 54.7 t -119.86 103.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.41 77.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mt -68.31 106.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' HG2' ' N ' ' A' ' 44' ' ' HIS . 14.9 tt0 -91.87 157.13 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -55.52 -49.82 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -117.03 31.09 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 5.3 t-80 -168.06 160.23 11.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 46' ' ' ARG . 2.1 tt -143.69 130.28 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' N ' HD22 ' A' ' 45' ' ' LEU . 15.1 ttm105 -132.01 105.45 7.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' CG2' HD23 ' A' ' 45' ' ' LEU . 37.7 t -125.13 147.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 167.51 -172.85 42.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 90.3 mt -106.91 130.1 54.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -39.37 126.39 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -40.3 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.99 169.32 21.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 140.52 25.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.07 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -54.91 -39.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.59 126.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.87 104.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' ' CE1' ' A' ' 44' ' ' HIS . . . 170.06 142.74 3.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.5 tt0 -50.36 122.06 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 64' ' ' VAL . 42.5 mt -58.38 157.23 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 43.2 t80 -65.53 -36.51 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.03 150.31 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.46 136.06 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 60' ' ' LEU . 6.6 m -128.86 141.51 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -67.12 93.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 2.2 m -69.67 -37.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.09 -22.16 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -106.16 -22.56 12.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 m -54.37 147.44 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.4 p -152.09 138.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.517 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 51.5 p-90 -125.47 168.56 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -174.89 153.53 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 4.2 mt -93.79 106.7 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.09 134.73 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.452 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 0.5 OUTLIER 45.39 25.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.22 51.57 11.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' HE2' ' CB ' ' A' ' 75' ' ' ASP . 1.3 pttt -144.69 -49.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -113.72 148.05 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 73' ' ' ILE . 3.0 t -100.26 127.79 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.6 p -110.93 144.93 39.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 83' ' ' LEU . 79.9 t -132.14 134.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -115.32 104.18 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -90.04 157.87 17.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -131.81 106.37 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 97.5 mttt -56.9 141.68 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -72.47 -48.04 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 88' ' ' LYS . 5.7 m120 -93.97 -19.54 20.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 33.75 56.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.21 33.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.78 130.8 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 28.8 t-105 -63.27 162.01 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 5.5 m0 -122.42 121.2 36.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 38.1 t30 -80.51 -1.74 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 176.99 149.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.16 -51.1 65.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 97' ' ' THR . 3.6 m -102.64 -121.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 96' ' ' VAL . 35.7 p -157.09 -39.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.22 107.0 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -42.5 145.54 0.82 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -128.53 -43.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 103' ' ' ASN . 67.6 mt 56.97 166.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.451 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 10.2 t30 -119.08 -48.14 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.4 t -155.87 -164.78 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -119.0 131.67 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.1 OUTLIER -152.96 80.51 1.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -34.61 -85.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -171.98 159.6 4.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.44 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 63.38 110.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.5 90.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.56 168.91 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.66 108.41 8.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m -113.67 79.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 90.2 2.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.38 152.84 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.81 163.07 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.59 123.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 121' ' ' THR . 1.2 pt-20 -126.7 -145.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.424 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 12.9 t -173.41 166.77 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -157.96 165.36 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.97 170.92 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.42 145.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 126' ' ' SER . 2.4 p -111.41 -147.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.55 ' N ' ' CG1' ' A' ' 125' ' ' VAL . 1.2 t -179.26 153.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -132.81 97.55 0.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -177.32 3.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.71 165.46 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.3 p -160.73 172.19 17.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -175.75 -58.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 127.2 55.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -76.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.74 131.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.42 115.92 6.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.36 -172.28 22.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.3 Cg_endo -74.94 -163.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' ND2' HD21 ' A' ' 103' ' ' ASN . 2.7 m-80 -105.52 33.41 3.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 19.8 p90 -156.52 166.13 34.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -102.45 143.34 32.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.562 ' CE3' HD12 ' A' ' 95' ' ' LEU . 37.8 p-90 -156.85 156.67 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -147.15 -162.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 172.32 175.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 15' ' ' THR . 1.8 t -142.65 37.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 5.8 mt 63.91 13.88 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.64 -61.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -107.22 158.03 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.613 ' CD1' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -124.64 121.07 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.07 139.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 10' ' ' TYR . 9.8 tp -142.43 144.42 33.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.07 123.93 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -121.79 104.83 38.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 143.51 28.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -123.51 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 92.77 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.514 ' CG2' HD22 ' A' ' 31' ' ' LEU . 2.8 m -140.03 172.37 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 8.63 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CZ ' HG11 ' A' ' 27' ' ' VAL . 22.6 p90 -131.69 169.52 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 135.67 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD22 ' CG2' ' A' ' 27' ' ' VAL . 1.7 mm? -81.38 121.24 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' HG13 ' A' ' 36' ' ' VAL . 11.2 mttp -89.36 159.01 17.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.7 -6.67 51.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' N ' ' HZ3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -116.49 18.02 15.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.74 8.49 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.19 167.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.549 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 88.7 t -131.71 98.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 71' ' ' TRP . 34.3 t -118.63 99.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.75 111.2 23.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG22 ' CG1' ' A' ' 66' ' ' VAL . 56.4 mt -102.29 114.38 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -113.56 -173.77 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.54 -49.12 61.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 3.0 ttt-85 -139.05 52.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -167.14 135.89 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 83' ' ' LEU . 14.6 tp -126.38 135.73 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -140.37 105.7 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 ' O ' ' CA ' ' A' ' 54' ' ' PRO . 93.1 t -115.96 155.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.22 165.59 15.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' CD1' ' OE1' ' A' ' 52' ' ' GLN . 12.5 mt -90.8 135.56 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.96 128.48 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.79 -41.78 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -84.74 167.88 24.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 144.69 30.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.422 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -74.97 112.88 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 t -56.84 -35.64 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.503 HG23 ' CE2' ' A' ' 10' ' ' TYR . 46.9 t -112.16 133.81 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -176.43 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.69 161.86 28.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -78.93 107.54 11.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -43.0 161.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB3' ' A' ' 92' ' ' TRP . 5.3 t80 -80.28 -30.55 38.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.472 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . 24.8 t30 -139.18 135.75 34.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 43' ' ' ARG . 4.5 mp0 -46.06 162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 42' ' ' ARG . 14.8 m -148.6 146.24 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -73.91 115.03 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 69' ' ' SER . 1.4 t -71.8 -64.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -41.37 -28.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' VAL . 1.6 mm-40 -106.23 45.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' VAL . 19.1 m -143.3 146.67 33.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.5 p -151.7 177.69 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.552 ' CD1' HG13 ' A' ' 38' ' ' VAL . 54.8 p-90 -154.0 157.98 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 163.25 39.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mt -101.65 127.94 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -100.29 136.86 39.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.6 19.05 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.22 45.71 57.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.21 -42.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.2 t -90.14 138.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.4 109.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.3 p -95.4 144.55 25.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.4 t -131.01 134.49 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -115.55 111.9 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 45' ' ' LEU . 21.2 mt -107.31 144.26 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.64 122.34 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 21.8 mttp -63.5 149.95 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.45 -29.12 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.55 -41.48 6.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? 65.4 42.88 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 26.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.42 128.37 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -99.95 136.85 39.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.613 ' CH2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.77 162.8 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.08 -25.3 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -147.36 122.52 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.562 HD12 ' CE3' ' A' ' 12' ' ' TRP . 8.1 tp -35.11 -62.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -105.16 151.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.0 p -68.37 -30.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -154.29 134.82 13.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.031 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.52 164.94 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.462 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.4 Cg_endo -74.95 -144.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 1.4 mt-10 -108.01 -60.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 103' ' ' ASN . 37.6 mt -100.16 162.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.488 HD21 ' ND2' ' A' ' 9' ' ' ASN . 25.7 m-20 -133.12 -56.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.0 p -119.32 174.06 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 177.68 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -52.0 173.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.4 mp -61.74 -63.15 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.89 151.5 4.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.87 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -160.4 107.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -172.82 166.65 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.83 118.92 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.93 172.99 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 114' ' ' LEU . 3.9 tp -101.81 17.72 22.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.75 77.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -124.08 87.93 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.07 160.38 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -86.25 126.63 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 p -107.16 -26.3 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -131.78 -143.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 t -163.11 169.8 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -87.21 151.07 23.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.58 166.62 24.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.5 mtp -139.22 166.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.0 t -152.03 114.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.4 p -165.83 99.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.39 84.39 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.76 12.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 131.0 49.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.1 p -142.74 170.06 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.68 164.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.77 -50.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.61 -59.43 0.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t 62.05 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -143.73 143.68 31.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.59 -152.26 44.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -75.03 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -101.7 43.14 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 12.6 p90 -175.75 155.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -84.35 134.71 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CE3' HD23 ' A' ' 95' ' ' LEU . 39.3 p-90 -146.59 136.64 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.049 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 p -137.67 -168.1 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 pm0 -179.26 165.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -130.66 55.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 47.47 27.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' CA ' ' HD2' ' A' ' 85' ' ' LYS . . . -166.63 -69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -88.27 152.22 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.19 125.39 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.17 132.62 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 80' ' ' THR . 0.7 OUTLIER -137.12 135.26 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.29 129.34 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG11 ' CG1' ' A' ' 55' ' ' VAL . 12.0 t -132.07 105.01 13.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 147.73 34.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE2' ' CD1' ' A' ' 49' ' ' LEU . 20.1 m-30 -124.66 169.27 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.73 90.42 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -134.16 169.79 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 3.54 12.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -131.1 175.96 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.79 106.37 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.71 130.59 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mmmt -104.98 -172.86 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.35 42.4 2.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.49 -42.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.14 35.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.36 166.14 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 54.1 t -138.21 96.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 50.0 t -111.8 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.63 110.56 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 69' ' ' SER . 53.9 mt -102.84 101.65 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -104.67 179.25 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 6.2 tpp180 -66.51 -49.14 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -134.49 54.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -174.48 137.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -130.84 120.17 23.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.2 ttm180 -122.92 114.39 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 57.4 t -122.56 148.07 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.32 155.38 7.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.6 mm? -78.72 133.73 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.9 tttt -39.76 134.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.84 -43.64 2.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -71.33 170.42 11.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.03 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.505 ' CG1' HG11 ' A' ' 23' ' ' VAL . 9.2 p -78.09 1.3 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 47' ' ' VAL . 8.8 t -151.9 134.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' ASP . 29.9 t0 -175.48 125.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.42 155.73 8.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' LEU . 54.4 tt0 -77.82 106.52 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 59' ' ' GLU . 46.6 mt -41.62 162.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 69.6 t80 -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -163.63 177.78 8.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.48 153.49 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.0 m -146.88 136.56 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 106.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.5 m -84.08 -24.82 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.03 -36.18 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.8 -14.94 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.447 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -51.16 157.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -167.12 129.86 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 47.0 p-90 -126.15 160.38 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -157.56 -179.57 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 23.0 mt -123.24 109.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -72.26 131.51 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.87 22.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.16 56.7 6.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.28 -49.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -108.68 141.06 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.85 115.16 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -101.97 133.03 47.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 82' ' ' HIS . 74.5 t -122.26 144.7 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.419 ' N ' HG11 ' A' ' 81' ' ' VAL . 18.3 t60 -129.31 113.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.613 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -109.17 149.46 29.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.43 121.4 40.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' HD2' ' CA ' ' A' ' 17' ' ' ALA . 85.4 mttt -60.82 158.31 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.8 -39.04 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -97.28 -35.12 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.55 47.44 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 mmt -115.33 -48.08 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.03 -171.0 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -122.54 127.07 49.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 33.8 m0 -62.63 139.19 58.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.421 ' CB ' ' NH1' ' A' ' 94' ' ' ARG . 1.7 m120 -83.92 -13.5 53.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -162.31 -162.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.6 tm? -96.55 -50.99 4.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.485 ' CG1' HD12 ' A' ' 95' ' ' LEU . 4.2 m -131.33 138.99 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -51.46 -30.01 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.51 135.86 32.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.74 161.38 74.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -120.68 -87.04 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.39 164.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -111.03 -48.28 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 p -132.44 126.82 33.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -94.56 160.9 14.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 107' ' ' ILE . 12.4 tttm -80.11 82.31 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -37.52 -86.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -172.65 171.87 1.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 57.96 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 174.24 92.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.2 166.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? 54.86 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.3 mt -124.53 103.39 8.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.9 p -67.11 88.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.04 85.92 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.47 152.5 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -157.53 163.57 38.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.8 116.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.18 121.27 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 t -162.49 148.14 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -171.42 145.74 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.362 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.57 148.48 17.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.3 ttp -175.15 140.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.3 p -164.83 119.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.05 135.04 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.88 97.89 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.6 2.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -164.62 169.86 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -155.67 167.76 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 p -172.31 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.43 150.56 39.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 -127.12 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.95 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 132.2 56.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 151.68 21.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -112.38 34.69 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -165.48 155.06 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -83.67 139.33 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.8 p-90 -148.55 137.29 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.9 p -138.68 -166.43 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -178.86 -166.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 15' ' ' THR . 11.9 t -168.48 57.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.52 30.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -151.59 -72.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -115.66 158.84 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -114.01 130.75 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 131.77 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 80' ' ' THR . 1.0 OUTLIER -132.1 133.9 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.29 131.76 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG11 ' CE1' ' A' ' 25' ' ' PHE . 82.0 t -131.93 102.3 14.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 23' ' ' VAL . 9.8 m-85 -107.9 144.36 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 9.9 ptt180 -75.12 85.4 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m -131.16 153.58 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 14.09 22.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -143.5 164.22 30.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 104.53 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.38 146.22 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' HG11 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -110.1 169.7 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.12 51.59 3.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.05 -45.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -8.02 50.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -112.52 166.86 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 58.3 t -134.46 101.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 38.3 t -117.81 107.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.44 104.9 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -91.73 107.14 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 4.6 tt0 -101.38 151.44 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.568 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -41.1 -48.07 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH1' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -134.34 41.72 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -160.75 143.18 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' CD2' HD12 ' A' ' 83' ' ' LEU . 7.5 tp -131.84 117.67 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttm180 -120.96 109.15 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 46.3 t -122.29 152.16 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.0 160.17 11.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.29 136.65 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.07 134.13 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.47 -43.83 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.33 170.49 14.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.99 155.34 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 114.39 4.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 56' ' ' VAL . 4.0 p -73.64 -1.75 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 47' ' ' VAL . 5.7 t -145.97 128.92 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -169.86 128.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 44' ' ' HIS . . . 158.1 154.05 6.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CD ' ' NH1' ' A' ' 43' ' ' ARG . 38.5 tt0 -72.09 116.36 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 64' ' ' VAL . 43.9 mt -51.11 166.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 32.8 t80 -61.14 -36.01 78.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -164.65 171.12 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 43' ' ' ARG . 72.7 mt-10 -54.79 139.39 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 60' ' ' LEU . 5.2 m -135.54 135.54 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.1 tttt -60.45 91.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -71.57 -31.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.25 -23.79 62.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -105.84 -9.8 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.5 m -71.63 137.32 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 p -139.73 132.95 29.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.523 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 40.1 p-90 -119.0 160.68 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.5 OUTLIER -162.43 167.82 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' CG2' ' A' ' 79' ' ' VAL . 16.1 mt -108.37 110.47 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.35 143.38 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER 40.41 29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 37.05 51.64 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' HG3' ' CG1' ' A' ' 78' ' ' VAL . 6.9 pttt -143.47 -45.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' CG1' ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.66 148.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 73' ' ' ILE . 5.4 t -99.39 119.9 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -103.77 136.87 42.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.3 t -128.34 122.73 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 63.3 t60 -104.24 112.28 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.63 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 45' ' ' LEU . 22.0 mt -99.47 156.69 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -133.25 112.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 29.0 mttt -61.89 156.18 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 mm -80.66 -32.75 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.07 -43.21 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm 63.57 44.18 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.8 OUTLIER -165.46 31.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 3.4 tp10 -129.07 142.38 50.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 45.4 t-105 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 18.7 m0 -91.94 151.99 20.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.59 4.55 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' NH1' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -172.03 132.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.8 tm? -52.92 -51.96 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 m -127.8 148.41 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.0 p -76.33 -34.41 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 p -119.27 107.27 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -48.88 157.98 0.71 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -84.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -127.21 -79.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.6 mt -84.48 165.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.513 ' O ' ' CG2' ' A' ' 104' ' ' THR . 2.2 t-20 -169.89 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 103' ' ' ASN . 9.9 t 47.94 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -97.44 129.34 44.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.1 tptt 62.63 137.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 7.8 mm -125.25 -67.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -148.84 140.16 14.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 39.37 42.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -132.27 83.96 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -149.32 67.26 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -160.93 150.17 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mt -112.13 24.05 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.2 p -115.13 82.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.53 85.5 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.43 141.61 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.15 125.41 31.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.5 p -152.03 109.58 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -175.99 127.03 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.1 m -160.5 159.12 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 178.48 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.54 166.58 8.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 152.6 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.6 p -152.61 111.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.2 p 47.08 -151.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.83 97.85 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.97 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.546 1.814 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 75.4 p -179.77 124.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.39 165.23 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -163.67 98.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -177.84 147.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 146.79 4.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -50.75 157.79 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -178.0 170.25 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 173.0 45.61 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -163.26 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.96 31.41 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 21.4 p90 -153.02 169.75 22.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -108.41 147.18 31.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.402 ' CD1' ' HB2' ' A' ' 95' ' ' LEU . 19.4 p-90 -152.47 132.98 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 p -126.11 -167.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -179.93 172.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 t -136.79 37.44 2.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.9 12.7 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' CB ' ' HD2' ' A' ' 88' ' ' LYS . . . -146.5 -68.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -93.0 161.18 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.578 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -126.07 132.29 51.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.44 148.55 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 13.3 tp -149.7 146.08 27.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB2' ' CG ' ' A' ' 11' ' ' ARG . . . -144.55 117.32 8.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -118.36 104.62 47.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 18.2 Cg_endo -75.02 153.89 41.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 19.8 m-85 -136.18 152.78 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.12 94.11 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 29' ' ' PHE . 5.0 m -137.88 154.33 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -0.65 38.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CZ ' HG11 ' A' ' 27' ' ' VAL . 4.7 p90 -122.68 166.97 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.24 99.79 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.11 131.36 40.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -100.51 167.34 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.8 7.72 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -103.22 -19.66 14.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 17.9 22.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 73' ' ' ILE . 43.3 t -117.8 170.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' GLY . 41.2 t -144.63 102.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 HG13 ' CD1' ' A' ' 71' ' ' TRP . 3.3 t -119.24 98.52 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.99 93.06 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 45' ' ' LEU . 81.2 mt -102.17 92.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.503 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 43.7 mm-40 -93.24 175.62 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.08 -58.56 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HG2' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -128.9 54.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.476 ' CA ' HD21 ' A' ' 60' ' ' LEU . 1.6 t-80 -173.44 113.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.622 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CB ' HD22 ' A' ' 60' ' ' LEU . 57.1 tp -101.78 160.3 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -171.57 121.79 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.98 150.9 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 160.64 162.66 12.74 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -85.61 136.27 33.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 130.24 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.07 -42.7 3.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -71.13 167.21 31.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.98 138.64 23.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 t -56.42 -32.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.07 143.13 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t0 176.79 106.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.19 164.67 28.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CG ' ' HG2' ' A' ' 43' ' ' ARG . 22.7 tt0 -71.08 144.18 50.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -80.51 137.15 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . 19.6 t80 -51.96 -21.11 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 63' ' ' GLU . 6.7 t-20 -160.69 129.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 46.3 mt-10 -33.33 115.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' ARG . 4.5 m -103.27 130.2 53.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -62.56 106.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.503 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 1.5 m -65.48 -28.55 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -39.93 92.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.55 -2.88 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' HG23 ' A' ' 40' ' ' ILE . 58.5 m -79.6 144.71 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.28 167.12 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.523 ' CD1' HG13 ' A' ' 38' ' ' VAL . 38.4 p-90 -162.71 161.45 26.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.77 157.17 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.413 ' CD1' HG21 ' A' ' 36' ' ' VAL . 54.3 mt -97.1 112.86 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -89.91 147.3 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.18 23.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.19 33.6 30.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 -47.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.1 t -75.95 147.39 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.22 117.12 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.5 p -106.67 140.26 39.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 83' ' ' LEU . 58.3 t -128.76 139.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -126.09 103.23 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -94.13 172.39 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.7 123.18 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 34.1 mttt -65.77 160.55 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -89.69 -19.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.81 -55.02 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD2' ' CB ' ' A' ' 17' ' ' ALA . 5.5 mtmt 65.39 72.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.55 -42.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 163.09 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -106.69 119.68 39.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.578 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 21.3 m0 -71.44 154.02 41.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.023 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.582 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m-20 -112.48 -11.61 13.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.639 ' CZ ' ' HB2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -152.61 177.32 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.503 ' C ' ' NH2' ' A' ' 94' ' ' ARG . 1.7 tm? -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.409 ' CA ' HH21 ' A' ' 94' ' ' ARG . 0.7 OUTLIER -127.45 127.49 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 61' ' ' TYR . 43.5 p -37.86 -36.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -127.26 119.02 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.03 159.86 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -72.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.83 -75.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.0 mt -85.75 162.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -146.87 -52.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 57.3 p -105.58 116.01 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -116.34 147.42 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt 61.31 148.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 16.1 mm -84.05 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -93.91 152.14 40.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -48.69 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -135.74 91.03 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -124.62 98.91 5.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.7 p -142.02 170.33 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.57 176.78 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.1 mt -111.22 89.8 3.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.3 p -116.18 79.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.31 89.81 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.53 155.3 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 t0 179.84 166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 m -126.89 -141.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -123.74 -147.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 p -131.54 175.99 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 158.03 37.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.17 167.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.5 171.99 7.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.4 p -154.14 115.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.6 p -97.67 155.26 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -114.97 119.61 4.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.16 7.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.33 172.46 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.73 171.75 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -137.69 -58.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -175.66 158.41 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.03 -138.76 5.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -131.33 117.91 19.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.053 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.4 175.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.05 -173.56 42.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.02 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.1 17.3 24.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 30.8 p90 -142.02 166.98 23.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.0 ptp180 -110.49 152.76 25.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -163.2 157.34 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.3 p -149.14 -170.96 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -179.24 152.27 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 15' ' ' THR . 6.0 t -121.81 42.14 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 61.89 17.21 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.67 -74.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 159.26 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.87 129.14 51.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.44 144.82 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.1 tp -151.71 141.46 21.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.71 126.84 15.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.1 t -126.31 104.46 25.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.7 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.463 ' CG ' HD12 ' A' ' 49' ' ' LEU . 23.5 m-85 -134.56 152.95 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 86.21 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.553 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 5.6 m -129.62 163.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 5.35 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 10.8 p90 -126.45 175.59 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -96.25 99.58 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -47.52 143.99 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -100.19 -47.87 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 36' ' ' VAL . . . 138.52 -14.19 3.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -94.97 -2.03 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.23 5.81 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -122.18 165.35 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 1.9 m -128.63 114.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 71' ' ' TRP . 71.3 t -134.89 92.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.01 120.88 31.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 HD11 ' CG1' ' A' ' 81' ' ' VAL . 47.6 mt -113.22 91.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -101.01 161.27 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' N ' HG13 ' A' ' 66' ' ' VAL . 1.2 tpt180 -46.37 -62.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.56 47.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -165.7 130.67 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.6 tp -129.64 113.61 14.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -118.89 97.22 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.4 t -112.43 115.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 54' ' ' PRO . . . -153.63 -177.89 27.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 25' ' ' PHE . 12.5 mt -109.25 129.0 55.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -41.62 122.9 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.06 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.606 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 1.1 mp0 -81.63 165.78 41.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 141.43 26.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.01 144.64 30.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -85.67 -33.72 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -112.56 125.7 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -165.66 85.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.7 159.47 32.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.41 121.46 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.31 163.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.522 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 71.6 t80 -71.94 -36.9 70.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -153.55 142.9 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.04 148.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.11 135.09 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 7.9 tttt -59.94 97.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -71.11 -31.19 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.85 -20.23 63.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -114.75 5.34 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 m -84.69 155.64 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' HIS . 89.1 p -163.85 147.07 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.549 ' CD1' HG13 ' A' ' 38' ' ' VAL . 44.5 p-90 -131.21 158.74 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.11 174.23 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.9 mt -113.84 117.57 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -85.98 136.88 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 2.5 m-20 45.74 25.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.73 44.52 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -136.65 -44.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -115.74 145.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.3 t -95.06 124.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.76 140.84 41.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.43 ' CG1' HD11 ' A' ' 40' ' ' ILE . 24.8 t -123.77 143.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' SER . 66.3 t60 -126.27 107.37 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 164.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -136.15 107.52 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -52.99 153.14 3.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mm -78.5 -37.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -92.67 -39.42 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt 64.17 42.07 5.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.11 70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.1 tp10 178.55 136.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.418 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 65.8 t-105 -88.39 118.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 31.2 m0 -67.41 160.79 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.439 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.6 m-20 -114.01 -12.63 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.524 ' CD ' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -176.09 121.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' ARG . 13.7 tp -39.64 -55.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 m -120.61 147.76 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.5 p -78.28 -29.01 47.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' ASP . 30.8 p -125.99 105.54 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' SER . 1.5 p30 -40.21 156.3 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -73.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -118.64 -72.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.5 mt -85.45 168.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -118.02 -61.08 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 p -124.66 114.19 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -127.73 84.66 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 178.76 155.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.54 -55.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -87.43 157.56 52.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 65.11 116.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.252 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.98 140.51 45.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.2 p -96.74 171.04 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.59 176.59 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mp -121.07 105.43 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 82.84 1.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.93 88.84 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tp -110.93 121.61 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.34 149.33 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 t -168.86 117.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' THR . 3.4 pt-20 -133.03 -148.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 8.9 t -168.54 166.59 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 170.31 12.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.74 170.7 21.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.2 ttp -168.77 139.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 126' ' ' SER . 2.4 p -102.86 -148.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.546 ' N ' ' CG1' ' A' ' 125' ' ' VAL . 1.1 m 175.02 157.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.4 130.18 3.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.48 9.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.4 p -146.21 172.24 13.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.08 170.68 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -156.29 170.31 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.56 166.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.65 175.0 28.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -105.37 174.81 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.41 170.78 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.78 -138.23 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -158.9 -45.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 20.1 p90 -133.19 162.29 32.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' CD ' ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -116.5 149.23 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 37.2 p-90 -151.45 137.46 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.8 p -136.94 -165.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' NE2' ' CH2' ' A' ' 91' ' ' TRP . 11.8 pm0 179.98 -178.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -143.13 33.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 2.9 mt 66.64 10.59 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' HG3' ' A' ' 88' ' ' LYS . . . -141.24 -65.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -118.31 132.6 56.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.81 130.32 56.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.78 144.01 49.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB1' ' CD ' ' A' ' 11' ' ' ARG . . . -144.7 123.97 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.8 t -125.72 103.38 28.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 18.5 Cg_endo -75.0 160.13 40.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.524 ' CD2' HD11 ' A' ' 49' ' ' LEU . 27.9 m-85 -142.61 148.82 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 86.52 5.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.63 159.7 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 9.02 40.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -141.16 168.41 19.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 1.2 mtt180 -79.4 111.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.61 129.31 41.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -107.62 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 22.52 14.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 1.26 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -142.33 39.76 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 30.6 t -130.68 171.16 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 50' ' ' LYS . 25.4 t -144.9 113.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.687 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 24.8 t -141.45 104.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.24 100.38 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.4 mt -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -121.66 -173.52 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -126.09 46.69 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HA ' HD21 ' A' ' 60' ' ' LEU . 2.6 t-80 -159.22 121.42 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 60' ' ' LEU . 39.3 tp -110.33 148.43 31.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 2.7 ttm180 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 81' ' ' VAL . 76.3 t -132.41 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.53 179.01 34.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 25' ' ' PHE . 69.8 mt -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 3.4 mttt -40.83 128.19 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.99 -41.4 3.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 168.58 26.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.64 29.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 107.72 2.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -53.76 -35.33 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 27.9 t -117.74 137.28 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -176.47 90.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.18 166.14 38.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 8.5 tt0 -75.12 144.36 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 0.813 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -78.65 148.11 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 5.6 t80 -66.18 -8.18 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' GLU . 12.5 t-20 -166.0 125.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' ASN . 38.4 mt-10 -36.07 116.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . 11.4 m -100.52 136.91 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' GLU . 20.9 tttt -67.87 113.82 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 69' ' ' SER . 1.6 t -67.72 -63.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.33 -29.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.4 mm-40 -104.89 44.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.8 m -147.2 151.12 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 p -158.29 -168.26 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.687 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 66.3 p-90 -163.6 156.88 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.0 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.14 176.66 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.458 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 13.6 mt -116.87 117.01 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -86.63 128.83 35.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.47 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 51.1 m-20 53.77 20.4 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 46.49 40.21 11.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 5.8 pttt -133.5 -45.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -114.43 143.28 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 19.2 t -93.11 134.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.411 ' OG1' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -119.19 138.93 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 47' ' ' VAL . 93.2 t -124.01 139.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -117.73 104.36 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.33 159.27 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -136.31 134.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 40.7 mttt -79.46 131.08 35.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mm -43.63 -27.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 85' ' ' LYS . 4.3 m-80 -147.11 149.32 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 3.3 ttpt -107.81 73.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.86 24.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.4 OUTLIER -150.52 137.74 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.473 ' CH2' ' NE2' ' A' ' 14' ' ' GLN . 39.7 t-105 -94.31 149.3 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 85' ' ' LYS . 18.3 m0 -95.47 157.62 15.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.486 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 33.5 t-20 -115.7 -10.9 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -167.44 138.48 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.2 tm? -39.11 -61.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.27 151.97 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 94' ' ' ARG . 41.0 p -57.21 -39.68 75.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.7 p -130.65 105.95 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.2 142.77 75.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' OE2' ' CE1' ' A' ' 10' ' ' TYR . 15.0 pt-20 -71.4 -26.83 62.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.8 mt 56.89 164.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.02 33.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.6 p -38.4 122.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -176.28 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.42 161.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.5 mp -42.55 -66.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -169.55 150.86 4.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.42 65.85 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -101.95 91.57 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.73 140.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 173.41 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.54 76.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.98 77.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.52 89.8 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.93 173.8 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -169.91 152.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 p -126.79 -42.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 69.26 126.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 m -115.79 162.33 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.79 154.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.1 m -137.61 169.63 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.56 143.47 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 126' ' ' SER . 11.5 m -109.99 -141.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.445 ' N ' ' CG2' ' A' ' 125' ' ' VAL . 1.0 OUTLIER 172.83 174.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -141.47 142.08 11.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -175.66 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 p -152.23 165.61 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.05 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -169.17 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.85 125.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.07 -172.22 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -152.5 137.17 16.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -105.15 163.92 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.83 -163.17 33.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -174.02 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' CG ' ' HB1' ' A' ' 22' ' ' ALA . 14.8 ptp180 -92.92 153.65 18.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 41.4 p-90 -158.33 133.26 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 11.3 p -132.66 -168.64 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.54 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.5 pt20 176.2 -174.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 t -154.06 57.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 45.78 28.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.62 -86.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -93.02 156.73 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -112.31 129.85 56.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.37 131.47 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -133.17 143.79 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 11' ' ' ARG . . . -140.95 132.1 26.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.84 105.87 14.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.77 42.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 14.2 m-85 -137.56 161.24 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 92.0 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.53 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 2.6 m -138.07 165.35 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.89 3.27 30.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 27' ' ' VAL . 4.2 p90 -122.17 164.42 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 105.64 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' HG22 ' A' ' 27' ' ' VAL . 2.9 mm? -48.4 123.71 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -100.71 160.7 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.4 51.62 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -45.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -84.93 7.58 20.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 32' ' ' LYS . 21.7 t -98.47 166.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' GLY . 54.4 t -146.5 102.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.702 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 13.4 t -125.38 100.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -97.55 92.41 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.1 mt -94.33 101.48 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -101.64 177.59 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -54.3 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.09 55.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -178.58 132.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.6 tp -116.46 165.2 13.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -169.54 102.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 81' ' ' VAL . 88.1 t -117.49 147.55 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 162.25 166.8 21.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.605 ' CD2' ' CE2' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -86.79 133.33 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -40.11 130.64 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.33 -41.87 3.04 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -73.13 167.55 33.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.764 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.98 139.36 24.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -54.6 -31.5 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.29 139.83 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.75 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' C ' HG22 ' A' ' 96' ' ' VAL . . . -150.26 164.25 29.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.577 ' N ' ' CG2' ' A' ' 96' ' ' VAL . 37.6 tt0 -83.51 98.14 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -41.52 160.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' ' NH2' ' A' ' 94' ' ' ARG . 2.4 t80 -62.73 -41.15 99.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.48 175.93 11.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -60.51 147.08 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.14 127.62 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -52.51 103.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 m -76.94 -35.98 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -27.59 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.79 -18.24 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.1 m -63.15 138.44 58.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -144.79 147.17 32.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.702 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 63.0 p-90 -134.22 157.71 45.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.4 175.85 13.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.462 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 3.5 mt -111.13 121.75 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -84.67 134.71 34.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 43.65 27.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 45.91 51.02 11.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.492 ' CE ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -157.32 -40.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.492 HG22 ' CE ' ' A' ' 77' ' ' LYS . 43.8 t -102.41 141.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.416 HG11 ' CG1' ' A' ' 47' ' ' VAL . 9.2 t -101.1 119.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.52 139.27 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 47' ' ' VAL . 75.8 t -126.08 114.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.406 ' CE1' ' CD ' ' A' ' 18' ' ' GLU . 47.3 t60 -99.44 93.3 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.55 -173.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -162.07 121.53 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 90' ' ' GLU . 96.2 mttt -71.12 131.96 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LYS . 16.9 mm -39.85 -50.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' LYS . 29.3 m-20 -155.92 58.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 37.72 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.4 mmt -56.3 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 1.6 pt-20 -162.4 -174.55 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.54 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 12.1 t-105 -79.56 82.77 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.064 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.462 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 34.0 m0 -42.22 150.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.543 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.1 m-80 -113.05 -2.33 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.682 ' HE ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.76 156.14 31.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.4 tm? -67.8 -49.2 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.577 ' CG2' ' N ' ' A' ' 59' ' ' GLU . 13.2 p -138.78 150.84 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.592 ' N ' ' NH1' ' A' ' 94' ' ' ARG . 44.7 p -49.72 -29.55 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.89 147.61 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.82 158.72 72.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' ILE . 5.8 mt-10 -142.01 -64.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' GLU . 54.8 mt 56.47 163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -169.83 32.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.4 p -113.53 134.82 54.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt 53.97 174.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -171.49 3.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.0 mp -49.08 -63.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -80.42 141.88 53.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -55.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 65.29 106.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 176.68 158.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.61 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -100.35 120.32 39.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mt -117.68 92.09 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.08 -58.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.22 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.82 170.21 10.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -118.64 171.86 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 m -126.33 -141.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.39 87.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.6 t -150.04 151.05 32.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.61 149.56 11.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.42 161.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.59 80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.4 p -168.81 123.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.4 t -174.54 135.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -174.62 84.59 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.8 p -130.11 156.21 44.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.6 t 175.76 143.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -79.36 91.8 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -51.1 167.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.69 168.9 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 p -129.51 116.72 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -40.64 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.07 -169.01 12.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -75.03 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.77 22.54 10.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.565 ' CD1' HD12 ' A' ' 21' ' ' LEU . 25.0 p90 -147.04 163.3 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 141.03 29.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 36.1 p-90 -153.62 140.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.405 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 82.7 p -133.46 -165.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 13' ' ' THR . 13.5 pm0 -177.3 149.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 17' ' ' ALA . 10.0 t -126.57 59.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.97 29.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -165.83 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 1.5 mt-10 -83.11 155.14 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.99 127.97 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.07 143.46 32.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 10' ' ' TYR . 16.4 tp -150.39 143.19 24.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -144.94 124.26 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 55' ' ' VAL . 48.7 t -123.41 102.4 36.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HA ' ' HB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.0 150.68 38.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CG ' HD12 ' A' ' 49' ' ' LEU . 61.2 m-85 -134.04 134.76 42.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.6 mtp-105 -70.58 84.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.0 155.77 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.75 10.96 28.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -143.67 164.99 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' CG ' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -75.3 98.87 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 8.8 mt -49.43 127.44 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 24.9 mmmt -85.54 165.33 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -11.85 85.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 13.88 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.15 16.79 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 38.3 t -121.49 167.12 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -141.8 118.57 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 t -140.51 92.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 46' ' ' ARG . 5.2 t70 -93.98 87.32 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 83' ' ' LEU . 66.5 mt -87.26 91.19 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 15.4 mm-40 -92.49 172.61 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' N ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.68 41.22 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 2.2 t-80 -171.96 144.86 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.594 ' CD2' ' CG2' ' A' ' 47' ' ' VAL . 1.7 tt -138.51 119.59 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 20.3 ttm180 -124.23 89.75 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.594 ' CG2' ' CD2' ' A' ' 45' ' ' LEU . 55.6 t -109.1 124.42 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . -161.5 -158.44 9.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 25' ' ' PHE . 41.9 mt -124.63 127.99 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 1.3 mttm -43.42 117.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.21 -36.3 3.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.65 169.0 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 145.11 31.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.2 Cg_endo -75.06 126.37 9.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' CG2' HG12 ' A' ' 23' ' ' VAL . 7.3 t -72.2 -38.75 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 12.7 t -109.26 125.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.24 123.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.9 158.17 8.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.82 114.82 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 64' ' ' VAL . 44.7 mt -49.41 164.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.515 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 5.3 t80 -63.25 -35.8 81.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 14.5 t-20 -161.3 161.54 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 69.7 mt-10 -50.93 142.15 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.43 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.4 m -138.28 138.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -60.03 101.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 42' ' ' ARG . 3.8 m -75.16 -37.49 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.94 -15.62 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -106.34 -11.31 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.24 171.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.0 p -178.24 133.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -129.91 159.31 37.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.002 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.3 OUTLIER -160.45 150.63 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 5.6 mt -91.69 106.79 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -75.45 131.51 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.49 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 7.1 m-20 44.37 27.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 30' ' ' ARG . . . 43.22 35.47 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 13.2 pttt -125.76 -39.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 ' CG1' ' HG3' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -126.99 151.66 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.48 128.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.5 p -106.87 145.38 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -131.38 143.23 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' GLU . 11.2 t60 -127.24 108.44 10.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -99.1 156.27 17.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -126.34 123.03 37.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -71.47 150.07 45.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -82.03 -41.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 88' ' ' LYS . 15.5 p30 -97.06 -27.29 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 5.5 ptpt 38.67 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -163.38 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.75 138.03 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -82.3 134.23 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.015 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.515 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 19.5 m0 -90.17 141.27 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.2 4.39 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.82 131.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.8 tm? -52.07 -52.23 52.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 95' ' ' LEU . 9.9 m -124.87 155.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 75.4 p -85.9 -30.88 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.7 p -116.96 93.44 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.38 166.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.423 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.5 Cg_endo -74.94 -143.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 10.2 pt-20 -109.31 -39.33 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 141.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . 3.3 p30 -92.54 -38.53 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' ASN . 6.2 p 41.59 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 130.09 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.1 OUTLIER -135.78 72.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -35.03 -73.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -143.51 162.25 42.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.51 -136.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.19 89.55 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.64 152.6 47.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.69 172.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.46 109.54 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 m -107.64 95.63 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -151.39 81.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.71 132.62 40.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 119' ' ' SER . 14.4 m-20 -62.23 145.71 52.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.589 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 3.2 t 160.82 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.589 ' CG ' ' O ' ' A' ' 119' ' ' SER . 1.4 pt-20 56.32 145.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.8 t -158.57 147.46 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.83 102.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.6 167.31 18.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.23 153.0 51.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 37.9 t -127.73 100.44 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.244 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.2 p -118.87 153.23 34.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -146.01 116.18 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -177.35 3.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.53 178.53 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m 60.1 156.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.7 86.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 139.89 53.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.84 144.97 11.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.36 111.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.01 174.28 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.07 152.62 17.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -162.28 -44.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -128.02 155.62 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 mtt-85 -100.73 146.77 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CE3' HD21 ' A' ' 95' ' ' LEU . 50.9 p-90 -153.69 146.39 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -141.48 -172.1 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -178.94 155.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.9 t -121.75 38.53 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt 64.12 14.52 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' HA ' ' CB ' ' A' ' 88' ' ' LYS . . . -141.55 -67.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.34 156.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -118.04 119.09 33.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.08 141.51 30.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.3 tp -139.07 141.8 38.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.54 121.32 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG13 ' CE1' ' A' ' 25' ' ' PHE . 57.4 t -124.93 103.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 138.59 23.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.44 ' CE1' HG13 ' A' ' 23' ' ' VAL . 13.7 m-85 -119.45 145.99 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -86.49 84.85 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.89 161.7 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 13.21 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.68 164.77 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 100.59 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' A' ' 49' ' ' LEU . 14.5 mt -54.18 136.04 43.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 3.0 mmtt -109.08 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.81 11.51 61.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 5.96 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -140.37 33.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 23.1 t -128.66 170.39 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -144.51 101.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 4.5 t -127.65 105.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -97.74 98.14 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 50.6 mt -89.86 113.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -115.77 -173.14 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -38.94 40.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.88 56.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -177.14 140.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' CD2' HD11 ' A' ' 83' ' ' LEU . 5.6 tp -129.5 121.19 26.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttp180 -124.04 113.79 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 49.1 t -124.26 153.94 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.25 159.58 10.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 31' ' ' LEU . 32.9 mt -82.95 137.67 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 132.89 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.37 -42.72 2.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.82 170.64 14.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.07 118.02 5.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.499 ' CG1' HG22 ' A' ' 56' ' ' VAL . 4.3 p -77.83 2.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' CG1' ' A' ' 55' ' ' VAL . 8.1 t -150.99 130.55 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -171.6 112.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.06 155.48 12.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -73.94 110.56 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -43.53 163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 78.6 t80 -68.94 -31.5 70.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -153.22 163.82 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.33 158.76 6.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.0 m -150.84 145.97 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.0 tttm -70.93 116.56 11.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -77.09 -64.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -41.92 -27.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.1 mm-40 -105.97 44.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 66' ' ' VAL . 1.7 m -143.06 160.95 39.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -162.28 -176.82 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.659 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 65.1 p-90 -156.94 161.62 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.056 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -161.73 177.39 9.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.463 ' CG2' ' HA2' ' A' ' 76' ' ' GLY . 20.5 mt -115.56 121.68 67.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -87.69 134.31 33.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 47.62 23.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 43.46 57.86 4.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' CE ' HG11 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -153.53 -42.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG11 ' CE ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -115.89 144.79 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.15 130.9 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -116.31 140.8 48.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.48 148.45 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -122.31 107.59 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.614 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 45' ' ' LEU . 20.2 mt -102.72 141.44 35.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -116.56 120.4 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.97 156.05 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 mm -85.99 -47.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -93.45 -24.79 17.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 6.3 ptmt 40.57 75.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.3 tt0 -85.59 136.78 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 3.1 t-105 -86.17 134.24 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 22.8 m0 -80.16 153.17 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.33 -16.87 15.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.14 130.8 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.565 HD21 ' CE3' ' A' ' 12' ' ' TRP . 2.6 tm? -41.08 -57.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 m -123.56 146.42 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.1 p -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -125.82 108.93 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 160.34 56.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.454 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.2 Cg_endo -75.03 -143.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.454 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 3.0 mt-10 -130.37 -81.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.24 160.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.12 -44.44 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.1 t -170.36 -169.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -144.87 -175.36 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -83.37 77.65 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -36.33 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.14 155.94 0.83 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -141.6 93.18 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -107.59 -35.76 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 m 54.83 168.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -145.49 149.25 34.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -131.4 91.26 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.91 77.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -129.65 87.06 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.4 -179.51 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -46.21 119.7 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 p -127.87 -143.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.82 -151.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.2 t -117.44 158.15 24.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 0.0 110.452 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.71 169.12 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.7 p -146.46 169.37 19.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.87 -172.4 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.8 p -166.63 106.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 60.0 p -134.35 127.04 30.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.98 119.19 2.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.5 p -133.51 163.1 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -137.17 171.34 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.78 162.15 11.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.99 164.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.83 -156.31 20.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -149.12 97.44 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m 179.78 148.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 -142.42 15.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 52.0 m-20 -140.41 -46.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 24.4 p90 -147.1 160.75 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -101.81 151.63 21.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.2 p-90 -159.38 131.67 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 107.973 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.0 p -130.07 -165.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -178.84 169.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 15' ' ' THR . 14.3 t -139.76 60.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.93 30.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' LYS . . . -166.09 -83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.54 155.82 24.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -121.65 128.49 51.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.49 145.43 34.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 80' ' ' THR . 6.8 tp -149.9 146.31 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.64 118.4 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' HG11 ' A' ' 55' ' ' VAL . 55.4 t -112.35 100.07 48.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 122.32 7.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 12.9 m-85 -109.33 137.92 46.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 83.73 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -125.71 154.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 11.05 37.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -139.29 166.61 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 111.99 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mt -70.2 114.09 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 159.08 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 51.01 2.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -143.69 -44.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.9 15.74 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG12 ' CG2' ' A' ' 79' ' ' VAL . 15.2 t -111.39 168.56 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -145.31 121.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 47.6 t -147.32 92.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.93 99.79 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 69' ' ' SER . 33.5 mt -90.88 92.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' C ' HG11 ' A' ' 66' ' ' VAL . 17.8 mm-40 -96.59 170.55 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -55.76 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.3 51.25 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -159.9 133.21 6.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 21' ' ' LEU . 12.1 tp -128.34 111.09 12.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.6 ttm180 -116.79 117.76 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 40.9 t -135.15 123.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -161.19 89.2 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.7 mt -19.06 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -40.84 121.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.71 -35.73 4.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.94 168.67 16.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.321 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.7 38.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' CG2' ' A' ' 56' ' ' VAL . 3.7 p -73.42 -5.56 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 4.0 t -139.39 115.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -160.57 94.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.61 147.74 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -65.28 119.81 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.0 mt -52.06 162.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CE2' ' OD1' ' A' ' 62' ' ' ASN . 43.1 t80 -70.61 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.54 ' OD1' ' CE2' ' A' ' 61' ' ' TYR . 2.6 m120 -154.47 151.52 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -47.7 155.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.437 ' CA ' ' O ' ' A' ' 84' ' ' GLU . 5.2 m -147.34 129.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.96 99.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.403 HG11 ' C ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -74.63 -22.16 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.43 -11.77 61.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.02 -3.5 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' CB ' HG23 ' A' ' 40' ' ' ILE . 61.1 m -78.14 150.03 33.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 p -158.95 134.71 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.473 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 59.8 p-90 -117.68 157.33 26.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 107.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.17 -179.03 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 6.5 mt -118.18 129.06 75.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -102.41 132.6 48.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 36.6 m-20 55.7 17.26 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' HA2' ' CG2' ' A' ' 73' ' ' ILE . . . 47.97 40.82 20.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -137.09 -42.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -115.39 142.28 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' CG2' HG12 ' A' ' 36' ' ' VAL . 2.4 t -95.59 122.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -101.36 149.02 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.459 ' CG2' HD21 ' A' ' 21' ' ' LEU . 47.5 t -133.26 136.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -116.18 98.65 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -90.83 144.16 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -113.53 125.92 54.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 88' ' ' LYS . 96.9 mttt -73.81 132.99 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.9 mm -57.43 -59.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -19.79 23.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 85' ' ' LYS . 9.4 pttt 42.36 71.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -171.64 43.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.3 OUTLIER -168.93 136.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.432 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 7.9 t-105 -82.82 144.28 30.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.494 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 41.5 m0 -91.8 137.67 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 5.1 m-20 -89.67 -12.73 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -172.35 115.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 12.5 tp -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 m -120.38 152.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.416 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 36.5 p -80.35 -28.6 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.39 106.51 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.79 158.9 72.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.67 -63.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 103' ' ' ASN . 40.6 mt -105.25 163.68 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' CG2' ' A' ' 104' ' ' THR . 3.1 p-10 -111.16 -55.47 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 103' ' ' ASN . 11.6 t 47.26 -165.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' N ' ' OG1' ' A' ' 104' ' ' THR . 0.0 OUTLIER 39.55 76.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 164.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.34 -68.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -75.8 151.2 84.44 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -123.64 -138.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.76 163.94 29.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -79.56 173.92 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -150.74 171.8 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.38 104.13 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.0 m -97.91 79.08 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.26 87.21 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mt -116.61 120.1 37.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.6 t0 179.57 158.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.65 101.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.66 110.49 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -115.78 141.65 47.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 141.82 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.1 p -139.42 160.66 39.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.11 161.64 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.26 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.31 157.07 43.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.45 144.79 15.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.46 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.23 160.31 26.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 169.89 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -147.4 168.5 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -104.59 171.43 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.01 154.44 16.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.98 -171.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 0.736 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.25 119.0 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.69 143.33 6.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 18.3 Cg_endo -75.0 -28.27 9.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 8' ' ' PRO . 1.0 OUTLIER 78.77 17.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 19.5 p90 -162.1 166.02 26.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 17.1 ptt85 -101.95 153.61 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CZ3' HD12 ' A' ' 19' ' ' LEU . 31.5 p-90 -157.78 154.92 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -147.35 -158.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' N ' ' OG1' ' A' ' 13' ' ' THR . 14.6 pt20 170.5 178.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 p -142.7 48.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 46.72 26.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.89 -64.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -110.95 164.62 12.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD12 ' CZ3' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -104.05 158.18 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' THR . 58.8 m-20 -143.7 123.15 13.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.576 HD23 ' CD1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -134.3 146.94 50.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 11' ' ' ARG . . . -144.84 130.35 18.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE1' ' A' ' 25' ' ' PHE . 3.5 t -126.57 100.41 28.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.07 119.88 5.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.671 ' CE1' ' CG1' ' A' ' 23' ' ' VAL . 12.9 m-85 -102.12 118.61 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 86.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.477 ' CG2' HD21 ' A' ' 31' ' ' LEU . 5.7 m -130.99 -177.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.63 2.38 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.3 p90 -124.68 179.43 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.97 103.11 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 27' ' ' VAL . 1.9 mm? -51.52 122.52 8.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 20.3 mmtt -90.59 166.79 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 46.79 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.31 -45.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -92.5 34.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 32' ' ' LYS . 11.6 t -126.78 168.74 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 47' ' ' VAL . 75.1 t -145.83 121.01 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 71' ' ' TRP . 37.8 t -145.26 92.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -90.35 87.5 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.429 HG22 ' CB ' ' A' ' 69' ' ' SER . 84.8 mt -84.07 88.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' C ' HG11 ' A' ' 66' ' ' VAL . 2.4 mm100 -94.03 170.28 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' N ' HG11 ' A' ' 66' ' ' VAL . 1.7 tpt180 -49.32 -47.88 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.18 51.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -163.07 133.88 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.2 tp -130.47 108.07 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 17.2 ttm-85 -113.8 93.43 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 17.2 t -104.64 165.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.44 162.4 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD22 ' CD2' ' A' ' 25' ' ' PHE . 52.4 mt -76.89 128.06 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.6 tttt -39.28 135.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.76 -43.87 3.02 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -73.78 171.14 11.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' CA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.495 HG12 ' CG1' ' A' ' 23' ' ' VAL . 8.7 p -70.25 -7.28 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 21.9 t -136.16 116.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 100' ' ' PRO . 50.7 p-10 -157.94 138.79 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.63 157.49 7.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.3 113.88 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 95' ' ' LEU . 46.4 mt -45.45 164.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 90.0 t80 -59.18 -37.77 78.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -160.71 172.36 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' CB ' HG13 ' A' ' 86' ' ' ILE . 42.9 mt-10 -55.89 144.81 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 60' ' ' LEU . 3.7 m -141.49 129.69 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -52.66 100.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 42' ' ' ARG . 1.5 m -75.08 -22.11 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.92 -17.59 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.52 -11.9 14.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.429 ' CB ' HG22 ' A' ' 40' ' ' ILE . 3.2 m -65.01 151.56 45.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -152.73 135.64 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.566 ' CD1' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -126.57 149.81 49.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD2' ' C ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -156.05 165.93 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.62 102.99 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.48 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 1.7 m-20 48.54 23.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.43 55.74 4.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 75' ' ' ASP . 15.6 pttt -156.76 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.446 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -112.88 135.26 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 25' ' ' PHE . 3.1 t -86.92 108.4 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.451 ' HB ' ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -94.41 145.11 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.6 t -135.38 148.52 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -136.31 118.14 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -105.76 140.87 38.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -101.75 116.07 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.483 ' HE3' ' CD2' ' A' ' 19' ' ' LEU . 69.3 mttt -61.79 143.56 56.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.408 HG13 ' CB ' ' A' ' 63' ' ' GLU . 12.2 mm -74.61 -29.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -108.14 -33.14 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' CG ' ' C ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER 40.7 73.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.47 -43.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.65 -169.31 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -124.43 135.81 53.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 29.2 m0 -81.9 119.42 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 108.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -65.72 -10.52 37.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -159.41 -155.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.478 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.2 tm? -117.15 -49.95 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.46 130.53 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' SER . 43.7 p -39.19 -31.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER 163.0 146.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.5 165.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.499 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 18.3 Cg_endo -75.03 -85.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -101.51 -102.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.2 mt -118.6 157.56 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 174.11 122.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.2 p -103.38 144.84 30.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 28.1 pttt -93.8 -173.68 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.92 -175.89 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 107' ' ' ILE . 0.2 OUTLIER -44.29 -40.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.403 ' N ' HG12 ' A' ' 107' ' ' ILE . 3.8 t30 175.19 150.83 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 110' ' ' GLU . 18.3 Cg_endo -75.0 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' PRO . 1.8 mm-40 37.09 88.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.52 137.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.0 p -167.92 52.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -63.52 -170.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.39 109.67 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 p -118.26 97.49 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.14 84.7 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.1 pp -65.49 101.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -172.41 146.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.8 p -90.16 74.81 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -121.86 98.78 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 t -121.69 150.48 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -110.79 111.67 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 146.67 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.051 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.96 88.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.6 p -175.56 123.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 98.8 p -114.23 133.69 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -176.95 103.74 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.46 8.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t -160.52 150.46 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m -157.98 168.28 27.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 168.24 165.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.84 168.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.93 -134.16 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -166.5 134.91 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 88.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.53 169.24 17.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -145.15 -47.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.484 ' CD1' HG12 ' A' ' 55' ' ' VAL . 27.4 p90 -112.08 159.21 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 1.4 ptp180 -100.58 148.84 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 21.8 p-90 -157.83 132.78 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -129.14 -169.68 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 179.42 149.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -111.22 31.09 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.4 9.73 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.78 -49.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -115.71 160.32 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -123.12 123.82 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.86 150.31 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 80' ' ' THR . 15.7 tp -152.91 141.83 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.87 121.44 11.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 55' ' ' VAL . 48.1 t -120.44 102.35 45.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.75 24.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 49' ' ' LEU . 15.1 m-85 -122.79 138.5 54.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 84.08 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.42 160.04 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.12 10.14 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -138.25 164.23 29.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 89.6 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.91 136.21 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.7 mmtt -96.76 -169.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.41 36.61 4.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -135.58 -47.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.23 -9.36 31.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.53 164.04 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.511 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -134.8 99.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' HB ' ' CE2' ' A' ' 71' ' ' TRP . 42.3 t -117.69 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -98.65 110.06 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 HG12 ' CD1' ' A' ' 45' ' ' LEU . 85.4 mt -106.53 98.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.462 ' C ' HG12 ' A' ' 66' ' ' VAL . 6.5 mm100 -95.81 172.13 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -51.7 -56.85 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.2 52.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.44 ' CA ' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -171.77 120.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.624 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CB ' HD21 ' A' ' 60' ' ' LEU . 17.1 tp -115.35 131.66 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' ASP . 21.2 ttm180 -140.34 123.45 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 t -140.23 110.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' CG1' ' A' ' 37' ' ' VAL . . . -148.28 177.49 26.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 52' ' ' GLN . 98.2 mt -103.22 113.47 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -36.88 124.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.53 -28.5 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -100.05 171.4 5.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 132.71 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 145.59 31.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 10' ' ' TYR . 15.4 t -88.6 -34.7 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' HG ' ' A' ' 45' ' ' LEU . 21.2 t -114.55 134.43 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -176.81 95.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.0 158.28 19.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -69.22 143.21 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.25 145.37 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 6.5 t80 -63.08 -8.84 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' A' ' 63' ' ' GLU . 9.6 t-20 -167.52 125.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 52.5 mt-10 -33.99 117.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ARG . 4.7 m -104.59 127.86 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.8 tttt -60.55 106.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.3 m -67.67 -31.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -62.57 -30.21 71.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.27 2.54 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -91.03 138.22 31.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.1 m -151.24 134.88 16.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.514 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 p-90 -121.14 162.76 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.98 161.15 31.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 32' ' ' LYS . 9.5 mt -105.27 105.4 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' GLY . 1.3 mt-10 -72.7 136.92 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.48 27.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.87 49.78 4.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -140.39 -47.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.06 144.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.71 119.18 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -103.41 134.08 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.54 145.02 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -130.05 104.24 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 HD21 ' CD2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -91.41 160.58 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -137.48 108.98 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 92' ' ' TRP . 10.7 mttt -59.75 145.72 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -72.14 -29.91 34.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 88' ' ' LYS . 28.0 m120 -101.46 -29.26 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 32.41 71.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -158.08 -43.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' ' SD ' ' A' ' 89' ' ' MET . 9.4 pt-20 -82.26 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 92' ' ' TRP . 2.1 t-105 -110.29 128.22 55.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.518 ' CD2' HD11 ' A' ' 19' ' ' LEU . 22.2 m0 -70.82 166.44 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.4 m-20 -114.57 -19.39 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -163.38 133.42 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.4 tm? -33.66 -61.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' CG1' HD11 ' A' ' 95' ' ' LEU . 1.6 m -122.42 165.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.7 p -86.92 -34.66 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -128.91 86.74 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.42 148.64 40.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -65.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 72.43 125.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.85 174.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -98.21 35.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p -95.73 164.9 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 169.73 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -85.71 79.17 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -36.42 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -163.01 136.71 4.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -66.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.8 114.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -141.89 153.0 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 p -166.92 146.7 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -148.91 141.98 24.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -141.04 89.24 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 55.4 m -59.97 -63.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.97 26.22 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 160.8 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.43 -157.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.55 129.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.04 -146.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 t -160.45 -171.62 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.31 -178.57 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 56.3 p -159.24 164.05 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 109.976 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.99 155.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 126' ' ' SER . 2.6 p -118.75 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 125' ' ' VAL . 4.8 t -176.18 121.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.64 96.46 0.54 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -151.48 177.01 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 t -165.74 129.9 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 0.0 110.963 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.552 ' CB ' HG22 ' A' ' 23' ' ' VAL . 13.3 p90 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.537 0.208 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -89.28 142.19 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.626 ' CE3' HD23 ' A' ' 95' ' ' LEU . 38.6 p-90 -158.79 162.56 37.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.867 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.1 t -161.04 -147.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.177 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' N ' ' OG1' ' A' ' 13' ' ' THR . 3.3 pm0 177.13 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' THR . 10.3 t -161.4 56.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.71 30.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -160.27 -85.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.4 pp20? -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -106.54 165.71 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 8.3 m-20 -145.06 129.52 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.901 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -129.01 144.99 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.901 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.24 131.41 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG22 ' CB ' ' A' ' 10' ' ' TYR . 59.7 t -132.89 106.47 12.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 150.47 38.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 49' ' ' LEU . 15.5 m-85 -135.32 146.19 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 84.46 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 31' ' ' LEU . 2.6 m -122.46 167.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.34 10.54 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -137.1 176.76 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -93.98 93.74 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.1 mt -51.05 138.77 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.636 ' O ' HG23 ' A' ' 36' ' ' VAL . 9.4 mttm -109.34 168.99 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.67 52.08 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -143.15 -45.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -91.19 22.88 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 73' ' ' ILE . 29.7 t -111.56 171.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.545 ' N ' HG12 ' A' ' 36' ' ' VAL . 75.9 t -144.43 116.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 71' ' ' TRP . 22.2 t -141.82 106.29 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -107.56 80.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.802 HG21 ' CB ' ' A' ' 69' ' ' SER . 52.6 mt -77.84 95.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -97.19 172.58 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.84 -49.18 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.79 51.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 58' ' ' GLY . 4.2 t-160 -174.29 128.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.004 HD22 ' CD1' ' A' ' 83' ' ' LEU . 20.1 tp -120.18 107.27 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -113.19 119.25 37.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 69.1 t -128.7 158.52 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 161.45 -179.95 36.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 25' ' ' PHE . 92.5 mt -105.19 133.51 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -44.62 125.89 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.12 -28.65 5.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -90.41 169.59 11.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 142.49 28.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.96 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.527 1.803 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.442 HG12 ' HD2' ' A' ' 10' ' ' TYR . 11.9 t -56.06 -32.71 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 45' ' ' LEU . 40.0 t -116.91 136.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -174.51 96.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -178.71 164.84 33.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.63 119.0 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.611 HD13 HG21 ' A' ' 64' ' ' VAL . 17.3 mt -51.44 168.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 15.8 t80 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 63' ' ' GLU . 12.9 t-20 -178.76 161.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 57.7 mt-10 -50.91 150.97 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 42' ' ' ARG . 12.9 m -148.81 136.22 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.17 105.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.7 m -80.43 -35.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -56.92 -29.58 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -105.29 29.04 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.802 ' CB ' HG21 ' A' ' 40' ' ' ILE . 6.3 p -90.71 176.4 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.78 169.02 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CD1' HG11 ' A' ' 38' ' ' VAL . 61.0 p-90 -168.48 156.1 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.048 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.07 174.48 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 36' ' ' VAL . 44.1 mt -113.56 109.75 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -85.29 141.34 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.19 23.15 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 51.04 44.24 50.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 31' ' ' LEU . 15.8 pttt -163.91 -54.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG23 ' HG3' ' A' ' 77' ' ' LYS . 39.1 t -71.11 130.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.32 116.47 44.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -107.0 138.18 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.828 HG11 HD11 ' A' ' 45' ' ' LEU . 54.1 t -120.51 143.38 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 65.0 t60 -115.75 109.5 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.004 ' CD1' HD22 ' A' ' 45' ' ' LEU . 17.4 mt -102.7 149.35 24.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.74 130.78 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -73.64 156.75 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mm -81.85 -31.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -101.7 -40.55 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.582 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.49 47.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 89' ' ' MET . 2.5 ppp? -168.19 45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -150.48 135.19 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -87.82 132.15 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.606 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 33.5 m0 -93.93 141.13 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.56 -2.72 35.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.14 148.96 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.693 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -66.56 -54.3 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -125.27 148.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 75.3 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.41 ' CD1' HG12 ' A' ' 55' ' ' VAL . 36.0 p90 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.601 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -106.68 143.54 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 12.3 p-90 -151.25 132.13 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.4 p -137.71 -164.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -178.64 161.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.476 HG23 ' OE2' ' A' ' 18' ' ' GLU . 22.6 p -122.37 35.5 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt 61.04 15.75 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.17 -53.46 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' OE2' HG23 ' A' ' 15' ' ' THR . 0.7 OUTLIER -114.99 159.47 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD12 ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -118.83 128.49 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -112.3 130.25 56.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.97 144.31 47.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -145.43 138.52 26.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.73 HG12 ' CE1' ' A' ' 25' ' ' PHE . 60.4 t -135.19 102.77 10.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.98 142.86 28.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CE1' HG12 ' A' ' 23' ' ' VAL . 20.9 m-30 -125.74 148.83 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 87.34 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 31' ' ' LEU . 5.1 m -132.58 163.97 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.0 9.59 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -136.67 -177.46 4.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.52 99.26 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.543 HD11 HG11 ' A' ' 27' ' ' VAL . 13.5 mt -57.72 140.0 52.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 15.6 mttt -101.54 -171.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 26.39 22.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -119.63 -37.4 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 0.805 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.21 35.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.537 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -146.98 165.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.537 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 97.7 t -136.3 96.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 ' CG ' ' A' ' 71' ' ' TRP . 44.5 t -116.53 99.6 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.53 110.71 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.569 HG21 ' CB ' ' A' ' 69' ' ' SER . 78.3 mt -104.63 93.41 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.23 170.67 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -57.5 -50.61 72.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.72 51.94 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -172.76 137.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.2 tp -127.49 140.41 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 36.7 ttp180 -144.36 107.9 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 78.2 t -121.15 149.37 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.33 166.34 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 57.0 mt -84.24 139.55 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.63 126.44 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.67 -41.4 2.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.75 168.21 13.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.0 136.39 20.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.95 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 10' ' ' TYR . 13.6 t -56.14 -36.84 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 20.9 t -113.51 130.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -172.31 105.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.58 172.75 42.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.25 119.61 25.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 35.5 mt -58.87 166.32 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 5.0 t80 -67.41 -36.54 81.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -151.67 -177.89 6.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.9 152.78 38.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 85' ' ' LYS . 6.6 m -143.34 133.26 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.8 tttt -55.95 103.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -79.56 -22.38 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -22.91 61.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.48 -3.95 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.5 m -77.18 139.91 40.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.0 p -147.12 140.51 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.762 ' CG ' HG11 ' A' ' 38' ' ' VAL . 50.5 p-90 -125.99 160.03 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -154.95 173.66 16.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.849 HG12 HG22 ' A' ' 79' ' ' VAL . 30.2 mt -116.14 105.99 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.69 134.2 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 48.31 24.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.662 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.58 47.73 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.667 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.0 ptmt -137.97 -46.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.96 141.61 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 73' ' ' ILE . 2.5 t -93.16 114.11 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -96.8 133.99 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' A' ' 21' ' ' LEU . 87.4 t -122.02 133.51 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -119.52 105.16 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 132.86 36.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -103.97 103.81 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 64' ' ' VAL . 92.3 mttt -50.85 155.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.9 mm -75.02 -64.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 74.8 m-20 -89.81 -15.35 32.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER 47.36 25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -125.47 47.64 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -155.45 143.99 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -98.52 137.51 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.51 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 20.3 m0 -99.73 143.32 30.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -108.86 -0.7 19.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.533 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.85 127.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.729 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.7 tm? -43.26 -54.89 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.3 m -129.08 152.75 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.533 HG22 ' NE ' ' A' ' 94' ' ' ARG . 43.0 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.638 ' HB2' HG22 ' A' ' 23' ' ' VAL . 26.9 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' HD12 ' A' ' 21' ' ' LEU . 47.4 mtp85 -100.51 138.25 37.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 44.4 p-90 -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.541 ' O ' HD23 ' A' ' 19' ' ' LEU . 48.6 p -122.57 -165.18 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 179.94 171.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -143.59 41.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt 58.59 17.01 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.59 -69.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -95.37 155.68 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -121.42 121.25 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CB ' ' OG1' ' A' ' 13' ' ' THR . 0.5 OUTLIER -99.59 144.75 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 22' ' ' ALA . 15.1 tp -146.82 136.52 23.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.28 117.89 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.3 t -119.0 105.16 45.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.12 42.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.8 m-85 -135.65 162.12 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.98 98.17 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.024 HG21 HD21 ' A' ' 31' ' ' LEU . 1.5 m -141.55 165.88 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.44 12.76 22.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -137.33 175.51 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 128.26 34.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.024 HD21 HG21 ' A' ' 27' ' ' VAL . 3.9 mm? -68.11 128.43 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 1.032 ' O ' HG23 ' A' ' 36' ' ' VAL . 10.4 mttt -100.62 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.86 -18.05 70.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -1.4 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.89 -4.9 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 32' ' ' LYS . 29.3 t -101.73 168.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.5 t -146.07 118.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 40' ' ' ILE . 43.1 t -139.62 105.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -99.55 96.7 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.901 HG21 ' CB ' ' A' ' 69' ' ' SER . 49.3 mt -93.5 96.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 12.3 mm-40 -101.78 177.1 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.34 -53.2 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.72 49.97 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -166.02 129.38 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 83' ' ' LEU . 18.7 tp -119.93 148.33 43.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 112.14 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 90.1 t -122.62 160.88 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 148.2 162.67 10.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.936 HD21 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -84.38 131.95 34.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -40.09 130.44 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -41.54 3.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.59 167.06 38.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 133.92 17.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.02 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -55.62 -32.39 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.15 134.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.39 81.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.01 166.23 33.45 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.18 112.9 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 45' ' ' LEU . 51.6 mt -46.82 165.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 5.5 t80 -73.06 -26.71 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -159.18 172.49 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.79 155.2 38.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 42' ' ' ARG . 13.7 m -149.81 137.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLU . 12.0 tttt -62.3 108.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.2 m -78.97 -37.86 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.91 -20.25 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.8 25.81 10.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.901 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.3 m -104.55 161.78 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.5 p -162.55 -179.42 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -167.24 153.62 8.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.603 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -154.17 176.32 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' ' 31' ' ' LEU . 3.5 mt -112.19 126.12 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -94.91 144.75 25.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.5 22.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 47.93 52.91 15.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.887 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -171.86 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.336 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG23 ' CD ' ' A' ' 77' ' ' LYS . 99.6 t -90.69 143.74 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.481 HG21 ' HE2' ' A' ' 25' ' ' PHE . 11.4 t -101.07 138.34 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -132.91 140.21 47.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.56 153.34 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -129.58 107.81 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 45' ' ' LEU . 40.5 mt -104.45 154.9 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -129.98 132.08 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -75.95 151.93 37.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.8 mm -76.26 -48.74 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.35 -39.58 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.79 49.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.4 ' O ' ' SD ' ' A' ' 89' ' ' MET . 1.9 ppp? -161.05 26.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -132.02 137.8 47.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -91.36 134.79 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 107.95 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.442 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 34.9 m0 -95.9 141.66 29.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -98.66 -3.95 34.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.763 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -173.42 150.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 96' ' ' VAL . 1.8 tm? -63.51 -56.76 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -127.49 152.35 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.763 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 40.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB2' HG22 ' A' ' 23' ' ' VAL . 18.3 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.3 mtt180 -103.93 144.6 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 43.6 p-90 -153.93 128.03 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 p -126.07 -160.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 174.19 170.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -128.99 34.03 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 1.0 OUTLIER 65.85 11.69 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.77 -56.15 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.85 156.13 19.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.742 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -115.82 130.82 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 3.3 m-20 -113.6 146.19 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 11' ' ' ARG . 14.2 tp -149.98 141.88 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.7 117.0 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 10' ' ' TYR . 28.1 t -117.04 104.17 51.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 151.88 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.751 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.2 m-85 -133.96 145.44 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.44 91.86 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.13 166.07 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.1 0.44 13.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.18 169.3 10.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -88.77 108.45 19.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.69 127.78 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -93.22 175.74 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.75 -12.56 80.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HG2' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -105.23 11.25 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -11.99 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -117.72 167.22 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.2 t -134.75 97.11 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG11 ' CG ' ' A' ' 71' ' ' TRP . 13.6 t -111.38 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -101.73 101.51 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 69' ' ' SER . 71.0 mt -98.3 98.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -99.22 175.43 5.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.59 -52.23 65.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.1 52.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.94 136.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB2' HD11 ' A' ' 60' ' ' LEU . 20.2 tp -130.68 116.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -120.16 116.02 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 65.8 t -129.73 149.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 156.6 154.63 7.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.4 mm? -76.78 127.98 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 5.0 tttt -38.19 129.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.22 -39.61 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -77.02 167.5 36.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.4 Cg_endo -74.99 119.32 5.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.22 -31.93 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 45' ' ' LEU . 18.3 t -119.72 139.08 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.9 t0 179.49 37.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 164.59 12.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.89 105.69 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 64' ' ' VAL . 63.3 mt -43.67 159.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 51.1 t80 -50.77 -33.34 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.84 -177.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -54.14 145.75 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 60' ' ' LEU . 9.7 m -147.85 134.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.91 105.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.45 -36.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.18 3.89 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.518 ' HB2' HG21 ' A' ' 40' ' ' ILE . 2.0 p -78.56 162.35 26.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.4 p -167.94 135.28 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.827 ' CG ' HG11 ' A' ' 38' ' ' VAL . 37.2 p-90 -131.33 161.04 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.57 168.81 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.693 HD11 HG11 ' A' ' 36' ' ' VAL . 41.5 mt -109.77 113.09 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -83.59 145.43 28.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.35 30.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 45.14 38.33 6.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -152.77 -50.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' LYS . 54.6 t -78.1 146.29 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.21 114.99 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.8 p -103.59 152.52 21.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 47' ' ' VAL . 39.1 t -137.19 143.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -125.74 101.81 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.97 143.24 26.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.14 122.91 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 87.1 mttt -70.99 137.82 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.4 -49.71 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 33.0 m-80 -88.98 -33.22 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 9.8 pttt 44.68 60.15 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.56 23.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.39 124.61 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -70.08 142.72 52.61 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.742 ' CE3' HD11 ' A' ' 19' ' ' LEU . 40.2 m0 -91.18 153.4 20.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -119.76 14.66 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.493 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -178.19 124.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.849 HD12 HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -52.17 -50.12 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.849 HG13 HD12 ' A' ' 95' ' ' LEU . 6.3 m -120.23 174.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' NE ' ' A' ' 94' ' ' ARG . 69.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' VAL . 35.0 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.483 0.182 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.38 148.6 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 95' ' ' LEU . 26.4 p-90 -159.06 134.73 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -137.35 -160.85 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 9.3 pm0 179.81 167.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 15' ' ' THR . 9.0 t -131.49 56.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 89' ' ' MET . 0.2 OUTLIER 39.62 34.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -159.82 -69.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -105.46 173.42 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 140.34 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 7.7 m-20 -125.73 128.43 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -131.34 143.49 50.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.695 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.41 128.4 17.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 21' ' ' LEU . 21.8 t -127.43 105.08 21.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.77 41.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -132.95 140.66 47.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.08 86.02 6.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 77' ' ' LYS . 4.8 m -128.1 162.88 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.15 7.79 16.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -137.21 168.61 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 114.54 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 77' ' ' LYS . 15.7 mt -72.75 132.06 43.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 19.7 mmtt -90.53 -173.67 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.45 13.79 61.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -25.02 7.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -91.48 20.12 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -137.83 166.32 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.548 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 57.8 t -134.03 100.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.861 HG11 ' CG ' ' A' ' 71' ' ' TRP . 53.8 t -117.38 98.85 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -99.34 112.07 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 69' ' ' SER . 90.8 mt -106.43 99.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 29.9 mm-40 -103.53 176.06 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -62.89 -51.49 66.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.36 50.66 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.66 133.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 83' ' ' LEU . 15.1 tp -130.03 127.21 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -129.48 106.27 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 HG21 ' A' ' 81' ' ' VAL . 90.9 t -118.98 150.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.4 -174.74 37.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 65.5 mt -106.68 129.98 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -39.46 130.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.32 -39.44 2.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -79.78 168.38 26.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 142.4 27.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.98 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.61 -36.57 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.88 126.9 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.24 121.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.57 156.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.85 112.64 7.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.746 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.0 mt -46.91 163.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 82.5 t80 -69.87 -36.32 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -147.89 162.28 39.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 67.7 mt-10 -61.65 142.9 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 m -132.18 134.55 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -56.7 104.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.98 -36.37 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.95 -38.77 73.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -89.56 -14.78 34.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.823 ' HB3' HG21 ' A' ' 40' ' ' ILE . 36.3 m -64.95 143.85 57.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 m -153.34 130.17 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.861 ' CG ' HG11 ' A' ' 38' ' ' VAL . 25.2 p-90 -112.76 162.91 15.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.8 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 72' ' ' LEU . 56.8 mt -123.29 112.79 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.2 mm-40 -93.24 137.11 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.45 12.61 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.95 45.93 93.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.73 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -170.98 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' GLU . 57.5 t -82.05 116.52 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.2 t -90.9 116.63 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.1 p -104.31 143.46 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 21' ' ' LEU . 71.8 t -128.27 131.88 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.525 ' CD2' ' OE1' ' A' ' 18' ' ' GLU . 25.4 t-80 -115.24 116.79 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 45' ' ' LEU . 79.5 mt -114.28 146.94 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' VAL . 9.8 tm-20 -116.42 112.15 21.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -56.45 124.55 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mm -63.57 -23.72 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 88' ' ' LYS . 7.1 t30 -96.86 -59.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 89' ' ' MET . 7.1 pttt 90.3 128.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 36.3 mtp 76.05 53.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -141.96 96.83 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.604 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 28.9 m0 -78.34 128.57 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 107.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -77.06 -12.0 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -176.82 123.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.701 HD13 ' CE3' ' A' ' 12' ' ' TRP . 16.0 tp -43.05 -55.56 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 m -121.32 163.01 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 39.3 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -98.59 138.25 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 48.4 p-90 -154.14 130.74 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.6 p -130.26 -153.28 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' OE1' HD21 ' A' ' 19' ' ' LEU . 7.0 pt20 173.2 -175.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 17' ' ' ALA . 1.5 t -155.83 53.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 44.23 26.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -151.09 -77.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 157.55 16.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -113.08 134.26 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.67 143.89 41.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.724 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.1 tp -151.24 140.98 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -143.75 115.63 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -113.87 105.64 54.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.984 ' CD2' HD11 ' A' ' 49' ' ' LEU . 14.2 m-85 -138.2 147.19 43.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.34 76.93 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.46 163.48 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.04 13.37 18.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -138.58 179.6 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -97.88 105.26 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.6 mt -55.71 126.07 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.16 -47.54 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.64 -13.26 4.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -87.1 -10.21 53.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.37 3.69 20.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD2' ' A' ' 49' ' ' LEU . 35.5 t -112.79 165.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.616 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -141.18 127.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.749 ' HA ' HG22 ' A' ' 47' ' ' VAL . 75.8 t -146.35 92.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -88.33 99.53 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.758 HG21 ' HB3' ' A' ' 69' ' ' SER . 94.3 mt -93.8 89.98 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.77 167.81 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -54.65 -46.43 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 50.89 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -172.68 133.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 36.0 tp -135.09 112.3 10.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.3 ttm180 -119.03 115.93 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' ' 38' ' ' VAL . 92.7 t -134.33 120.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.624 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -164.5 92.75 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 25' ' ' PHE . 61.9 mt -20.22 114.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -37.09 117.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.93 -27.1 21.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -99.93 170.17 7.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.0 137.64 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 113.33 3.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.56 -33.27 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 21' ' ' LEU . 8.7 t -112.43 108.65 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -152.53 110.85 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.02 174.59 37.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -87.46 118.03 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 64' ' ' VAL . 47.7 mt -51.17 167.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 6.0 t80 -65.21 -32.27 73.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -167.32 -174.06 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.81 142.31 56.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.9 m -137.92 133.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.3 tttt -56.96 99.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 m -75.5 -30.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -17.85 55.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.97 -4.32 16.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.758 ' HB3' HG21 ' A' ' 40' ' ' ILE . 14.3 m -79.9 155.04 27.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.3 p -167.71 140.99 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -119.48 162.13 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -158.2 156.55 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 31' ' ' LEU . 5.2 mt -92.64 125.54 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.6 OUTLIER -103.21 137.87 40.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.52 15.68 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.11 43.88 93.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.916 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -168.24 -45.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 24' ' ' PRO . 75.1 t -81.52 151.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -116.72 134.33 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.6 p -122.2 139.35 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.4 146.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -130.54 101.94 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.76 150.77 21.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.4 mt-10 -127.62 125.87 41.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 31.4 mttt -70.13 153.69 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 mm -79.12 -31.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -96.2 -48.23 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 66.89 61.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.24 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 152.89 44.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -103.12 124.13 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 18.4 m0 -78.13 143.09 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -106.97 1.86 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.28 153.45 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.509 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -66.18 -56.66 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.509 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.6 m -120.96 148.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.461 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 41.4 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' VAL . 20.2 p90 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.467 0.175 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' HD22 ' A' ' 21' ' ' LEU . 3.7 ptp180 -102.51 142.96 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.7 p-90 -149.28 138.21 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p -139.39 172.79 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 16.2 pt20 -163.29 152.98 15.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.406 ' C ' ' N ' ' A' ' 17' ' ' ALA . 4.3 t -125.47 58.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.28 29.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -156.46 -77.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.24 160.94 13.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -120.09 127.76 52.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -106.81 130.74 54.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.783 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.53 142.4 47.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -144.9 126.95 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 21' ' ' LEU . 21.4 t -130.21 103.27 16.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.96 154.94 43.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -134.14 167.89 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -98.11 89.86 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.0 169.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.59 7.09 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -139.91 174.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.74 99.75 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.4 140.4 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 5.9 mmtt -91.06 171.71 9.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.12 28.79 6.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.99 -42.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -63.15 -11.49 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -108.37 166.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 72.8 t -134.7 104.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.689 HG11 ' CG ' ' A' ' 71' ' ' TRP . 46.7 t -120.37 101.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 112.63 24.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.675 HG21 ' CB ' ' A' ' 69' ' ' SER . 83.8 mt -113.2 100.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.521 ' C ' HG12 ' A' ' 66' ' ' VAL . 11.2 mm-40 -101.27 174.74 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.73 -57.16 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -129.72 54.2 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.359 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -173.97 119.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.646 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 83' ' ' LEU . 60.1 tp -108.45 163.03 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 6.2 ttm180 -170.14 127.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 38' ' ' VAL . 53.6 t -141.94 147.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 166.21 172.65 33.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 79.7 mt -95.65 130.78 42.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.0 tttm -40.14 127.48 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.97 -36.95 3.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -80.95 169.03 20.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.97 139.07 23.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.06 108.89 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -54.33 -35.14 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 31.9 t -115.51 142.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 t70 175.53 100.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.75 155.23 13.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 97' ' ' THR . 21.6 tt0 -64.26 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -74.97 145.96 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.619 ' HA ' HG22 ' A' ' 97' ' ' THR . 7.9 t80 -64.54 -8.84 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.6 t30 -167.51 124.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 71.9 mt-10 -34.13 116.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m -103.28 139.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.2 108.03 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -67.91 -34.05 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -44.67 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -82.48 8.38 11.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.675 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.9 p -89.69 152.79 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -167.45 132.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.689 ' CG ' HG11 ' A' ' 38' ' ' VAL . 30.2 p-90 -123.59 157.48 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.82 161.81 38.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 36' ' ' VAL . 4.0 mt -104.93 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER -68.44 128.37 36.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 48.33 23.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.58 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.04 37.67 7.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.841 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.8 pttp -126.19 -38.16 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.841 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -125.6 150.45 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.92 121.04 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.1 p -107.47 139.03 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HB ' HD12 ' A' ' 21' ' ' LEU . 52.2 t -126.71 140.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.442 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -121.18 95.55 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 45' ' ' LEU . 16.4 mt -87.86 162.0 17.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.0 OUTLIER -137.81 131.35 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 15.1 mttt -79.69 127.32 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.5 mm -55.05 -22.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -137.95 105.56 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.53 60.59 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmm -134.79 -44.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.44 174.76 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 1.2 t-105 -120.12 131.88 55.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' O ' ' CE2' ' A' ' 91' ' ' TRP . 13.6 m0 -76.01 149.07 37.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 9.0 t-20 -100.5 -8.42 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -168.48 -160.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.014 HD13 HG13 ' A' ' 96' ' ' VAL . 3.3 tm? -97.02 -52.05 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 1.014 HG13 HD13 ' A' ' 95' ' ' LEU . 3.1 m -130.84 140.36 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 61' ' ' TYR . 69.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HB2' HG22 ' A' ' 23' ' ' VAL . 36.8 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.586 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ptp180 -98.47 152.71 19.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.416 ' CZ3' HD21 ' A' ' 19' ' ' LEU . 52.0 p-90 -167.65 149.97 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -138.32 -169.1 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.1 pt20 -179.29 155.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 17' ' ' ALA . 2.8 t -124.52 59.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 40.45 29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -162.58 -69.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -95.22 160.83 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -127.6 138.07 52.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -122.71 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -135.89 144.01 45.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -145.52 130.26 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.8 t -131.91 102.19 14.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.94 149.06 36.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CG ' HD11 ' A' ' 49' ' ' LEU . 16.6 m-85 -130.56 139.06 50.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.92 80.91 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.16 165.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.78 10.67 19.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.74 172.0 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.48 92.62 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 49' ' ' LEU . 8.4 mt -41.9 126.65 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' HG12 ' A' ' 36' ' ' VAL . 17.4 mttt -87.66 167.33 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.92 56.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 3.7 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.88 5.68 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -127.99 166.68 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.3 t -136.8 101.05 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 HG22 ' A' ' 47' ' ' VAL . 54.7 t -119.86 103.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.41 77.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.5 ' CD1' HG13 ' A' ' 81' ' ' VAL . 18.1 mt -68.31 106.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 44' ' ' HIS . 14.9 tt0 -91.87 157.13 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.52 -49.82 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -117.03 31.09 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 1.8 t60 -168.06 160.23 11.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.973 HD21 HG23 ' A' ' 47' ' ' VAL . 2.1 tt -143.69 130.28 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.889 ' N ' HD23 ' A' ' 45' ' ' LEU . 15.1 ttm105 -132.01 105.45 7.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.973 HG23 HD21 ' A' ' 45' ' ' LEU . 37.7 t -125.13 147.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 167.51 -172.85 42.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 31' ' ' LEU . 90.3 mt -106.91 130.1 54.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -39.37 126.39 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -40.3 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.99 169.32 21.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.06 140.52 25.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.07 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 23' ' ' VAL . 23.4 t -54.91 -39.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.5 ' CG1' HD22 ' A' ' 45' ' ' LEU . 6.2 t -107.59 126.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.87 104.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . . . 170.06 142.74 3.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' N ' ' CE1' ' A' ' 44' ' ' HIS . 34.5 tt0 -50.36 122.06 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CG2' ' A' ' 64' ' ' VAL . 42.5 mt -58.38 157.23 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 43.2 t80 -65.53 -36.51 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.03 150.31 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.46 136.06 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.533 ' CG2' HD13 ' A' ' 60' ' ' LEU . 6.6 m -128.86 141.51 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -67.12 93.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.2 m -69.67 -37.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.09 -22.16 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -106.16 -22.56 12.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 m -54.37 147.44 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.4 p -152.09 138.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.605 ' CG ' HG11 ' A' ' 38' ' ' VAL . 51.5 p-90 -125.47 168.56 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -174.89 153.53 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 36' ' ' VAL . 4.2 mt -93.79 106.7 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.09 134.73 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.452 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 0.5 OUTLIER 45.39 25.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.22 51.57 11.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.572 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.3 pttt -144.69 -49.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.572 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.72 148.05 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 73' ' ' ILE . 3.0 t -100.26 127.79 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.6 p -110.93 144.93 39.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 21' ' ' LEU . 79.9 t -132.14 134.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -115.32 104.18 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -90.04 157.87 17.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -131.81 106.37 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 97.5 mttt -56.9 141.68 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -72.47 -48.04 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 88' ' ' LYS . 5.7 m120 -93.97 -19.54 20.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 33.75 56.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.21 33.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.78 130.8 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 28.8 t-105 -63.27 162.01 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 5.5 m0 -122.42 121.2 36.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 38.1 t30 -80.51 -1.74 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 176.99 149.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.16 -51.1 65.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 58' ' ' GLY . 3.6 m -102.64 -121.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 96' ' ' VAL . 35.7 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.457 ' CE2' HG22 ' A' ' 56' ' ' VAL . 19.8 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.507 0.194 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -102.45 143.34 32.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 95' ' ' LEU . 37.8 p-90 -156.85 156.67 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -147.15 -162.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 19' ' ' LEU . 18.0 pt20 172.32 175.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -142.65 37.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 5.8 mt 63.91 13.88 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -141.64 -61.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -107.22 158.03 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.613 ' CD1' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -124.64 121.07 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.07 139.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.8 tp -142.43 144.42 33.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.82 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.07 123.93 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -121.79 104.83 38.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.07 143.51 28.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.8 m-85 -123.51 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 92.77 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.057 HG21 HD21 ' A' ' 31' ' ' LEU . 2.8 m -140.03 172.37 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 8.63 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -131.69 169.52 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 135.67 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.057 HD21 HG21 ' A' ' 27' ' ' VAL . 1.7 mm? -81.38 121.24 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 36' ' ' VAL . 11.2 mttp -89.36 159.01 17.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.7 -6.67 51.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.49 18.02 15.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.74 8.49 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.19 167.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.549 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 88.7 t -131.71 98.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 71' ' ' TRP . 34.3 t -118.63 99.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.75 111.2 23.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.79 HG22 HG13 ' A' ' 66' ' ' VAL . 56.4 mt -102.29 114.38 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -113.56 -173.77 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.54 -49.12 61.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 3.0 ttt-85 -139.05 52.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -167.14 135.89 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 83' ' ' LEU . 14.6 tp -126.38 135.73 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 2.2 ttt180 -140.37 105.7 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 93.1 t -115.96 155.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.22 165.59 15.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' OE1' ' A' ' 52' ' ' GLN . 12.5 mt -90.8 135.56 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.96 128.48 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.79 -41.78 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.754 ' OE1' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.74 167.88 24.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 144.69 30.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -74.97 112.88 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 t -56.84 -35.64 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG22 ' CE2' ' A' ' 10' ' ' TYR . 46.9 t -112.16 133.81 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -176.43 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.69 161.86 28.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 97' ' ' THR . 42.5 tt0 -78.93 107.54 11.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -43.0 161.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB3' ' A' ' 92' ' ' TRP . 5.3 t80 -80.28 -30.55 38.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.471 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . 24.8 t30 -139.18 135.75 34.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG3' ' CD ' ' A' ' 43' ' ' ARG . 4.5 mp0 -46.06 162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.8 m -148.6 146.24 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -73.91 115.03 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.79 HG13 HG22 ' A' ' 40' ' ' ILE . 1.4 t -71.8 -64.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -41.37 -28.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' VAL . 1.6 mm-40 -106.23 45.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' VAL . 19.1 m -143.3 146.67 33.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.5 p -151.7 177.69 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 38' ' ' VAL . 54.8 p-90 -154.0 157.98 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 163.25 39.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.523 HD11 HG11 ' A' ' 36' ' ' VAL . 4.1 mt -101.65 127.94 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -100.29 136.86 39.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.6 19.05 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 52.22 45.71 57.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.21 -42.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.537 HG23 ' HG3' ' A' ' 77' ' ' LYS . 96.2 t -90.14 138.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.4 109.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.3 p -95.4 144.55 25.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 47' ' ' VAL . 59.4 t -131.01 134.49 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -115.55 111.9 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.857 HD11 HD22 ' A' ' 45' ' ' LEU . 21.2 mt -107.31 144.26 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.64 122.34 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 19' ' ' LEU . 21.8 mttp -63.5 149.95 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.45 -29.12 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.55 -41.48 6.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.661 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 1.9 mtmp? 65.4 42.88 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 26.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.42 128.37 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -99.95 136.85 39.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.613 ' CH2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.77 162.8 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.08 -25.3 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -147.36 122.52 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.72 HD13 ' CE3' ' A' ' 12' ' ' TRP . 8.1 tp -35.11 -62.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -105.16 151.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' GLU . 38.0 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 23' ' ' VAL . 12.6 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.517 0.199 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -84.35 134.71 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 39.3 p-90 -146.59 136.64 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.049 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' HD23 ' A' ' 19' ' ' LEU . 31.6 p -137.67 -168.1 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 pm0 -179.26 165.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -130.66 55.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 47.47 27.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' CA ' ' HD2' ' A' ' 85' ' ' LYS . . . -166.63 -69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -88.27 152.22 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.19 125.39 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 1.6 m-20 -109.17 132.62 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -137.12 135.26 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.508 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -139.29 129.34 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.66 HG11 HG11 ' A' ' 55' ' ' VAL . 12.0 t -132.07 105.01 13.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 147.73 34.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.1 m-30 -124.66 169.27 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.73 90.42 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -134.16 169.79 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 3.54 12.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -131.1 175.96 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.79 106.37 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.71 130.59 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mmmt -104.98 -172.86 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.35 42.4 2.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.49 -42.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.14 35.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.36 166.14 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 54.1 t -138.21 96.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.596 HG11 ' CG ' ' A' ' 71' ' ' TRP . 50.0 t -111.8 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -93.63 110.56 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.795 HG21 ' CB ' ' A' ' 69' ' ' SER . 53.9 mt -102.84 101.65 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -104.67 179.25 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.2 tpp180 -66.51 -49.14 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -134.49 54.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -174.48 137.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 tp -130.84 120.17 23.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.2 ttm180 -122.92 114.39 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 57.4 t -122.56 148.07 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 162.32 155.38 7.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.6 mm? -78.72 133.73 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.9 tttt -39.76 134.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.84 -43.64 2.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -71.33 170.42 11.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.03 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.824 HG13 HG23 ' A' ' 56' ' ' VAL . 9.2 p -78.09 1.3 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.824 HG23 HG13 ' A' ' 55' ' ' VAL . 8.8 t -151.9 134.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' ASP . 29.9 t0 -175.48 125.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.42 155.73 8.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' LEU . 54.4 tt0 -77.82 106.52 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.6 mt -41.62 162.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 69.6 t80 -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -163.63 177.78 8.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.48 153.49 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.0 m -146.88 136.56 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 106.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.431 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.5 m -84.08 -24.82 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.03 -36.18 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.8 -14.94 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.795 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -51.16 157.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -167.12 129.86 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CG ' HG11 ' A' ' 38' ' ' VAL . 47.0 p-90 -126.15 160.38 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -157.56 -179.57 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.659 HG22 ' HA2' ' A' ' 76' ' ' GLY . 23.0 mt -123.24 109.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -72.26 131.51 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.87 22.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.16 56.7 6.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -147.28 -49.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -108.68 141.06 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 73' ' ' ILE . 15.6 t -89.85 115.16 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -101.97 133.03 47.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 21' ' ' LEU . 74.5 t -122.26 144.7 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 18.3 t60 -129.31 113.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.613 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -109.17 149.46 29.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.43 121.4 40.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' HD2' ' CA ' ' A' ' 17' ' ' ALA . 85.4 mttt -60.82 158.31 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.8 -39.04 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -97.28 -35.12 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.55 47.44 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 mmt -115.33 -48.08 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.03 -171.0 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -122.54 127.07 49.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.633 ' CE3' HD11 ' A' ' 19' ' ' LEU . 33.8 m0 -62.63 139.19 58.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.421 ' CB ' ' NH1' ' A' ' 94' ' ' ARG . 1.7 m120 -83.92 -13.5 53.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -162.31 -162.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.835 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -96.55 -50.99 4.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -131.33 138.99 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.6 p90 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.485 0.183 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 21' ' ' LEU . 59.2 mtp85 -83.67 139.33 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.8 p-90 -148.55 137.29 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.613 ' O ' HD23 ' A' ' 19' ' ' LEU . 29.9 p -138.68 -166.43 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -178.86 -166.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 11.9 t -168.48 57.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.52 30.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -151.59 -72.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -115.66 158.84 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -114.01 130.75 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -109.44 131.77 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -132.1 133.9 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -136.29 131.76 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 55' ' ' VAL . 82.0 t -131.93 102.3 14.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.01 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -107.9 144.36 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 9.9 ptt180 -75.12 85.4 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 31' ' ' LEU . 5.2 m -131.16 153.58 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 14.09 22.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -143.5 164.22 30.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 104.53 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 27' ' ' VAL . 12.7 mt -64.38 146.22 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -110.1 169.7 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.12 51.59 3.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.05 -45.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -8.02 50.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -112.52 166.86 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 58.3 t -134.46 101.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 47' ' ' VAL . 38.3 t -117.81 107.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.44 104.9 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 45' ' ' LEU . 71.5 mt -91.73 107.14 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 4.6 tt0 -101.38 151.44 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.645 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -41.1 -48.07 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH1' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -134.34 41.72 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -160.75 143.18 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.993 HD22 HD11 ' A' ' 83' ' ' LEU . 7.5 tp -131.84 117.67 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttm180 -120.96 109.15 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 38' ' ' VAL . 46.3 t -122.29 152.16 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.0 160.17 11.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 31' ' ' LEU . 40.7 mt -81.29 136.65 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.07 134.13 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.47 -43.83 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.33 170.49 14.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.99 155.34 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.96 114.39 4.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 23' ' ' VAL . 4.0 p -73.64 -1.75 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 55' ' ' VAL . 5.7 t -145.97 128.92 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -169.86 128.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.1 154.05 6.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 97' ' ' THR . 38.5 tt0 -72.09 116.36 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 64' ' ' VAL . 43.9 mt -51.11 166.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 32.8 t80 -61.14 -36.01 78.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -164.65 171.12 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 43' ' ' ARG . 72.7 mt-10 -54.79 139.39 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -135.54 135.54 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.1 tttt -60.45 91.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -71.57 -31.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.25 -23.79 62.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -105.84 -9.8 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.5 m -71.63 137.32 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 p -139.73 132.95 29.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.617 ' CG ' HG11 ' A' ' 38' ' ' VAL . 40.1 p-90 -119.0 160.68 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.43 167.82 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 79' ' ' VAL . 16.1 mt -108.37 110.47 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.35 143.38 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER 40.41 29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 37.05 51.64 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.832 ' HG3' HG13 ' A' ' 78' ' ' VAL . 6.9 pttt -143.47 -45.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.832 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.66 148.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 73' ' ' ILE . 5.4 t -99.39 119.9 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -103.77 136.87 42.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.585 HG22 ' HB2' ' A' ' 71' ' ' TRP . 73.3 t -128.34 122.73 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 63.3 t60 -104.24 112.28 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.63 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.993 HD11 HD22 ' A' ' 45' ' ' LEU . 22.0 mt -99.47 156.69 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -133.25 112.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HG12 ' A' ' 64' ' ' VAL . 29.0 mttt -61.89 156.18 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 mm -80.66 -32.75 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.07 -43.21 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm 63.57 44.18 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.8 OUTLIER -165.46 31.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 3.4 tp10 -129.07 142.38 50.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 45.4 t-105 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 18.7 m0 -91.94 151.99 20.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.59 4.55 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' NH1' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -172.03 132.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.894 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.92 -51.96 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.894 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -127.8 148.41 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 59' ' ' GLU . 19.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.431 ' CB ' HG22 ' A' ' 23' ' ' VAL . 21.4 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.626 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -108.41 147.18 31.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 19.4 p-90 -152.47 132.98 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 p -126.11 -167.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -179.93 172.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 15' ' ' THR . 6.1 t -136.79 37.44 2.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.9 12.7 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.935 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -146.5 -68.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -93.0 161.18 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -126.07 132.29 51.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -115.44 148.55 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 56' ' ' VAL . 13.3 tp -149.7 146.08 27.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.55 117.32 8.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 25' ' ' PHE . 47.8 t -118.36 104.62 47.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 153.89 41.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 19.8 m-85 -136.18 152.78 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.12 94.11 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG21 ' HG ' ' A' ' 31' ' ' LEU . 5.0 m -137.88 154.33 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -0.65 38.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -122.68 166.97 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.24 99.79 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 27' ' ' VAL . 14.3 mt -54.11 131.36 40.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.4 mttt -100.51 167.34 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.8 7.72 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -103.22 -19.66 14.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 17.9 22.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 32' ' ' LYS . 43.3 t -117.8 170.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.552 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.2 t -144.63 102.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG11 ' CD1' ' A' ' 71' ' ' TRP . 3.3 t -119.24 98.52 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.99 93.06 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.837 HG21 ' HB3' ' A' ' 69' ' ' SER . 81.2 mt -102.17 92.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.576 ' C ' HG12 ' A' ' 66' ' ' VAL . 43.7 mm-40 -93.24 175.62 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.08 -58.56 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HG2' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -128.9 54.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -173.44 113.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.622 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 46' ' ' ARG . 57.1 tp -101.78 160.3 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.572 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -171.57 121.79 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 81' ' ' VAL . 53.2 t -133.98 150.9 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.64 162.66 12.74 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -85.61 136.27 33.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 130.24 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.07 -42.7 3.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -71.13 167.21 31.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.98 138.64 23.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -74.98 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 t -56.42 -32.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.647 HG21 HD21 ' A' ' 21' ' ' LEU . 46.0 t -118.07 143.13 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t0 176.79 106.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.19 164.67 28.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 97' ' ' THR . 22.7 tt0 -71.08 144.18 50.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -80.51 137.15 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.64 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . 19.6 t80 -51.96 -21.11 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.7 t-20 -160.69 129.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 46.3 mt-10 -33.33 115.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 60' ' ' LEU . 4.5 m -103.27 130.2 53.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -62.56 106.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.5 m -65.48 -28.55 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -39.93 92.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.55 -2.88 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 40' ' ' ILE . 58.5 m -79.6 144.71 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.28 167.12 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.654 ' CD1' HG11 ' A' ' 38' ' ' VAL . 38.4 p-90 -162.71 161.45 26.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.77 157.17 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 36' ' ' VAL . 54.3 mt -97.1 112.86 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -89.91 147.3 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.18 23.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.19 33.6 30.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -154.67 -47.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.1 t -75.95 147.39 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.414 HG21 ' HE2' ' A' ' 25' ' ' PHE . 4.7 t -120.22 117.12 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 3.5 p -106.67 140.26 39.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 47' ' ' VAL . 58.3 t -128.76 139.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' SER . 3.8 t-80 -126.09 103.23 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.497 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -94.13 172.39 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.7 123.18 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 34.1 mttt -65.77 160.55 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -89.69 -19.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.81 -55.02 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.935 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 5.5 mtmt 65.39 72.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.55 -42.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 163.09 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -106.69 119.68 39.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD11 ' A' ' 19' ' ' LEU . 21.3 m0 -71.44 154.02 41.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.023 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.58 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m-20 -112.48 -11.61 13.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.64 ' CZ ' ' HB2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -152.61 177.32 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.844 HD13 HG13 ' A' ' 96' ' ' VAL . 1.7 tm? -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.844 HG13 HD13 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -127.45 127.49 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 61' ' ' TYR . 43.5 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.478 0.18 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.543 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.0 ptp180 -110.49 152.76 25.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 37.8 p-90 -163.2 157.34 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.3 p -149.14 -170.96 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -179.24 152.27 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' THR . 6.0 t -121.81 42.14 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 61.89 17.21 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.67 -74.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 159.26 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -122.87 129.14 51.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -106.44 144.82 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.656 HD12 ' H ' ' A' ' 22' ' ' ALA . 13.1 tp -151.71 141.46 21.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.656 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.71 126.84 15.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HB ' ' A' ' 55' ' ' VAL . 11.1 t -126.31 104.46 25.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -74.98 151.7 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CG ' HD11 ' A' ' 49' ' ' LEU . 23.5 m-85 -134.56 152.95 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 86.21 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -129.62 163.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 5.35 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -126.45 175.59 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 6.5 mtt180 -96.25 99.58 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HB2' HG21 ' A' ' 73' ' ' ILE . 1.7 mt -47.52 143.99 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -100.19 -47.87 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 36' ' ' VAL . . . 138.52 -14.19 3.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -94.97 -2.03 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.23 5.81 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -122.18 165.35 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 48' ' ' GLY . 1.9 m -128.63 114.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.681 HG13 HG22 ' A' ' 47' ' ' VAL . 71.3 t -134.89 92.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 45' ' ' LEU . 6.9 t0 -90.01 120.88 31.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 81' ' ' VAL . 47.6 mt -113.22 91.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -101.01 161.27 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' HG11 ' A' ' 66' ' ' VAL . 1.2 tpt180 -46.37 -62.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.56 47.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -165.7 130.67 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 39' ' ' ASP . 14.6 tp -129.64 113.61 14.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 19.8 ttm180 -118.89 97.22 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.681 HG22 HG13 ' A' ' 38' ' ' VAL . 53.4 t -112.43 115.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.559 ' CA ' ' HA ' ' A' ' 54' ' ' PRO . . . -153.63 -177.89 27.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 25' ' ' PHE . 12.5 mt -109.25 129.0 55.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -41.62 122.9 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.06 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 1.1 mp0 -81.63 165.78 41.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 141.43 26.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.01 144.64 30.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HB ' HG11 ' A' ' 23' ' ' VAL . 12.1 t -85.67 -33.72 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 5.4 t -112.56 125.7 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -165.66 85.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.7 159.47 32.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.41 121.46 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.31 163.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.522 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 71.6 t80 -71.94 -36.9 70.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -153.55 142.9 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.04 148.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.11 135.09 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 7.9 tttt -59.94 97.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -71.11 -31.19 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.85 -20.23 63.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -114.75 5.34 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 40' ' ' ILE . 33.4 m -84.69 155.64 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' HIS . 89.1 p -163.85 147.07 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.647 ' CG ' HG11 ' A' ' 38' ' ' VAL . 44.5 p-90 -131.21 158.74 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.11 174.23 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 31' ' ' LEU . 2.9 mt -113.84 117.57 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -85.98 136.88 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 2.5 m-20 45.74 25.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.73 44.52 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.781 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -136.65 -44.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.781 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -115.74 145.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.429 HG13 ' CE3' ' A' ' 71' ' ' TRP . 32.3 t -95.06 124.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.76 140.84 41.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' ILE . 24.8 t -123.77 143.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' SER . 58.6 t-80 -126.27 107.37 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 164.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -136.15 107.52 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -52.99 153.14 3.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mm -78.5 -37.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -92.67 -39.42 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt 64.17 42.07 5.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.11 70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.1 tp10 178.55 136.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 65.8 t-105 -88.39 118.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 31.2 m0 -67.41 160.79 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.439 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.6 m-20 -114.01 -12.63 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.736 ' HE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -176.09 121.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 ' CE3' ' A' ' 12' ' ' TRP . 13.7 tp -39.64 -55.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 m -120.61 147.76 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.736 HG22 ' HE ' ' A' ' 94' ' ' ARG . 40.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.505 0.193 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.598 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -116.5 149.23 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 37.2 p-90 -151.45 137.46 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 p -136.94 -165.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' NE2' ' CH2' ' A' ' 91' ' ' TRP . 11.8 pm0 179.98 -178.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' THR . 4.8 t -143.13 33.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 2.9 mt 66.64 10.59 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . . . -141.24 -65.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -118.31 132.6 56.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -114.81 130.32 56.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.77 HD11 HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -132.78 144.01 49.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.765 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.7 123.97 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.77 HG23 HD11 ' A' ' 21' ' ' LEU . 11.8 t -125.72 103.38 28.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.5 Cg_endo -75.0 160.13 40.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD2' HD11 ' A' ' 49' ' ' LEU . 27.9 m-85 -142.61 148.82 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 86.52 5.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.63 159.7 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 9.02 40.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -141.16 168.41 19.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 1.2 mtt180 -79.4 111.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD13 ' HD2' ' A' ' 25' ' ' PHE . 12.4 mt -59.61 129.31 41.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -107.62 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 22.52 14.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 1.26 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -142.33 39.76 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 32' ' ' LYS . 30.6 t -130.68 171.16 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.546 ' N ' HG12 ' A' ' 36' ' ' VAL . 25.4 t -144.9 113.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG11 ' CD1' ' A' ' 71' ' ' TRP . 24.8 t -141.45 104.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.24 100.38 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.859 HG22 HG13 ' A' ' 66' ' ' VAL . 89.4 mt -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.483 ' C ' HG22 ' A' ' 66' ' ' VAL . 9.2 mm100 -121.66 -173.52 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -126.09 46.69 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -159.22 121.42 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . 39.3 tp -110.33 148.43 31.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' H ' HD12 ' A' ' 45' ' ' LEU . 2.7 ttm180 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 81' ' ' VAL . 76.3 t -132.41 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 159.53 179.01 34.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 25' ' ' PHE . 69.8 mt -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 3.4 mttt -40.83 128.19 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.99 -41.4 3.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 168.58 26.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 143.64 29.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.05 107.72 2.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 23' ' ' VAL . 10.6 t -53.76 -35.33 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.9 t -117.74 137.28 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -176.47 90.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.18 166.14 38.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.897 ' OE1' HG21 ' A' ' 97' ' ' THR . 8.5 tt0 -75.12 144.36 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 0.813 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -78.65 148.11 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 5.6 t80 -66.18 -8.18 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.434 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.5 t-20 -166.0 125.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' ASN . 38.4 mt-10 -36.07 116.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' LEU . 11.4 m -100.52 136.91 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' GLU . 20.9 tttt -67.87 113.82 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 40' ' ' ILE . 1.6 t -67.72 -63.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.33 -29.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.4 mm-40 -104.89 44.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.8 m -147.2 151.12 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 p -158.29 -168.26 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.905 ' CD1' HG11 ' A' ' 38' ' ' VAL . 66.3 p-90 -163.6 156.88 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.0 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.14 176.66 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.616 HG22 ' HA2' ' A' ' 76' ' ' GLY . 13.6 mt -116.87 117.01 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -86.63 128.83 35.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 51.1 m-20 53.77 20.4 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.49 40.21 11.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.8 pttt -133.5 -45.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -114.43 143.28 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 19.2 t -93.11 134.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -119.19 138.93 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 47' ' ' VAL . 93.2 t -124.01 139.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -117.73 104.36 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.547 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -100.33 159.27 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -136.31 134.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 40.7 mttt -79.46 131.08 35.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mm -43.63 -27.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 85' ' ' LYS . 4.3 m-80 -147.11 149.32 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 3.3 ttpt -107.81 73.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.86 24.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.4 OUTLIER -150.52 137.74 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.473 ' CH2' ' NE2' ' A' ' 14' ' ' GLN . 39.7 t-105 -94.31 149.3 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 85' ' ' LYS . 18.3 m0 -95.47 157.62 15.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 33.5 t-20 -115.7 -10.9 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -167.44 138.48 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' VAL . 2.2 tm? -39.11 -61.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -126.27 151.97 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.897 HG21 ' OE1' ' A' ' 59' ' ' GLU . 41.0 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 p90 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.518 0.199 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.595 ' O ' HD22 ' A' ' 21' ' ' LEU . 14.8 ptp180 -92.92 153.65 18.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 41.4 p-90 -158.33 133.26 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' HD23 ' A' ' 19' ' ' LEU . 11.3 p -132.66 -168.64 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.54 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.5 pt20 176.2 -174.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' THR . 9.5 t -154.06 57.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 45.78 28.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.62 -86.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -93.02 156.73 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -112.31 129.85 56.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -110.37 131.47 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -133.17 143.79 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -140.95 132.1 26.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 21' ' ' LEU . 59.6 t -131.84 105.87 14.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.422 ' CA ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.99 154.77 42.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 49' ' ' LEU . 14.2 m-85 -137.56 161.24 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 92.0 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.901 HG21 HD21 ' A' ' 31' ' ' LEU . 2.6 m -138.07 165.35 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.89 3.27 30.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 27' ' ' VAL . 4.2 p90 -122.17 164.42 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 105.64 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.901 HD21 HG21 ' A' ' 27' ' ' VAL . 2.9 mm? -48.4 123.71 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.777 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -100.71 160.7 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.4 51.62 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -45.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -84.93 7.58 20.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 32' ' ' LYS . 21.7 t -98.47 166.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 36' ' ' VAL . 54.4 t -146.5 102.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.909 HG11 ' CD1' ' A' ' 71' ' ' TRP . 13.4 t -125.38 100.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -97.55 92.41 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.733 HG21 ' CB ' ' A' ' 69' ' ' SER . 88.1 mt -94.33 101.48 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' C ' HG11 ' A' ' 66' ' ' VAL . 37.3 mm-40 -101.64 177.59 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -58.97 -54.3 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.09 55.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -178.58 132.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.493 HD23 HG11 ' A' ' 56' ' ' VAL . 45.6 tp -116.46 165.2 13.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -169.54 102.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 81' ' ' VAL . 88.1 t -117.49 147.55 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 162.25 166.8 21.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.944 HD21 ' CE2' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -86.79 133.33 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -40.11 130.64 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.33 -41.87 3.04 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -73.13 167.55 33.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.764 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 139.36 24.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.01 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 ' HE1' ' A' ' 25' ' ' PHE . 12.1 t -54.6 -31.5 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HD23 ' A' ' 45' ' ' LEU . 48.3 t -114.29 139.83 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.75 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.833 ' HA3' HG21 ' A' ' 96' ' ' VAL . . . -150.26 164.25 29.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.724 ' C ' HG23 ' A' ' 96' ' ' VAL . 37.6 tt0 -83.51 98.14 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 64' ' ' VAL . 95.6 mt -41.52 160.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' ' NH2' ' A' ' 94' ' ' ARG . 2.4 t80 -62.73 -41.15 99.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.48 175.93 11.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -60.51 147.08 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CD1' ' A' ' 60' ' ' LEU . 4.9 m -137.14 127.62 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -52.51 103.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG11 ' C ' ' A' ' 41' ' ' GLN . 3.2 m -76.94 -35.98 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -27.59 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.79 -18.24 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.733 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.1 m -63.15 138.44 58.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -144.79 147.17 32.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.909 ' CD1' HG11 ' A' ' 38' ' ' VAL . 63.0 p-90 -134.22 157.71 45.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.4 175.85 13.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.606 HG22 ' HA2' ' A' ' 76' ' ' GLY . 3.5 mt -111.13 121.75 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -84.67 134.71 34.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 43.65 27.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.606 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 45.91 51.02 11.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.557 ' CE ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -157.32 -40.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.557 HG23 ' CE ' ' A' ' 77' ' ' LYS . 43.8 t -102.41 141.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.5 HG11 ' CG1' ' A' ' 47' ' ' VAL . 9.2 t -101.1 119.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.52 139.27 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 47' ' ' VAL . 75.8 t -126.08 114.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.406 ' CE1' ' CD ' ' A' ' 18' ' ' GLU . 47.3 t60 -99.44 93.3 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.55 -173.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -162.07 121.53 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 90' ' ' GLU . 96.2 mttt -71.12 131.96 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 mm -39.85 -50.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' LYS . 29.3 m-20 -155.92 58.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 37.72 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.4 mmt -56.3 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 1.6 pt-20 -162.4 -174.55 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 16' ' ' LEU . 12.1 t-105 -79.56 82.77 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.064 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CE3' HD11 ' A' ' 19' ' ' LEU . 34.0 m0 -42.22 150.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.541 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.1 m-80 -113.05 -2.33 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.698 ' HE ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.76 156.14 31.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 95' ' ' LEU . 2.4 tm? -67.8 -49.2 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.833 HG21 ' HA3' ' A' ' 58' ' ' GLY . 13.2 p -138.78 150.84 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.592 ' N ' ' NH1' ' A' ' 94' ' ' ARG . 44.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.466 ' HD2' HG12 ' A' ' 55' ' ' VAL . 25.0 p90 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -95.86 141.03 29.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 36.1 p-90 -153.62 140.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 19' ' ' LEU . 82.7 p -133.46 -165.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 13' ' ' THR . 13.5 pm0 -177.3 149.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' THR . 10.0 t -126.57 59.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.97 29.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -165.83 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 1.5 mt-10 -83.11 155.14 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.99 127.97 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -104.07 143.46 32.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 56' ' ' VAL . 16.4 tp -150.39 143.19 24.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.664 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.94 124.26 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 HG11 ' A' ' 55' ' ' VAL . 48.7 t -123.41 102.4 36.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.0 150.68 38.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CG ' HD11 ' A' ' 49' ' ' LEU . 61.2 m-85 -134.04 134.76 42.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.6 mtp-105 -70.58 84.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' PHE . 4.2 m -130.0 155.77 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.75 10.96 28.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -143.67 164.99 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CG ' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -75.3 98.87 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 8.8 mt -49.43 127.44 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.915 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.9 mmmt -85.54 165.33 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -11.85 85.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 13.88 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.15 16.79 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 32' ' ' LYS . 38.3 t -121.49 167.12 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.598 HG13 ' C ' ' A' ' 48' ' ' GLY . 0.8 OUTLIER -141.8 118.57 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.707 HG22 HG13 ' A' ' 47' ' ' VAL . 30.9 t -140.51 92.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 46' ' ' ARG . 5.2 t70 -93.98 87.32 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.644 HG21 ' CB ' ' A' ' 69' ' ' SER . 66.5 mt -87.26 91.19 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 15.4 mm-40 -92.49 172.61 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.68 41.22 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 2.2 t-80 -171.96 144.86 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.005 ' CD2' HG23 ' A' ' 47' ' ' VAL . 1.7 tt -138.51 119.59 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 20.3 ttm180 -124.23 89.75 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.005 HG23 ' CD2' ' A' ' 45' ' ' LEU . 55.6 t -109.1 124.42 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.598 ' C ' HG13 ' A' ' 37' ' ' VAL . . . -161.5 -158.44 9.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' CG ' ' A' ' 25' ' ' PHE . 41.9 mt -124.63 127.99 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 1.3 mttm -43.42 117.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.21 -36.3 3.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.65 169.0 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.01 145.11 31.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.2 Cg_endo -75.06 126.37 9.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.699 HG11 HG13 ' A' ' 23' ' ' VAL . 7.3 t -72.2 -38.75 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 21' ' ' LEU . 12.7 t -109.26 125.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.24 123.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.9 158.17 8.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.82 114.82 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 64' ' ' VAL . 44.7 mt -49.41 164.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.515 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 5.3 t80 -63.25 -35.8 81.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.427 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 14.5 t-20 -161.3 161.54 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 69.7 mt-10 -50.93 142.15 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 4.4 m -138.28 138.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -60.03 101.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 42' ' ' ARG . 3.8 m -75.16 -37.49 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.94 -15.62 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -106.34 -11.31 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.644 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.24 171.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.0 p -178.24 133.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.563 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -129.91 159.31 37.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.45 150.63 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.639 HG22 ' HA2' ' A' ' 76' ' ' GLY . 5.6 mt -91.69 106.79 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -75.45 131.51 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.49 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 7.1 m-20 44.37 27.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.639 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.22 35.47 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.863 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.2 pttt -125.76 -39.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.863 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -126.99 151.66 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.48 128.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.5 p -106.87 145.38 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 47' ' ' VAL . 46.4 t -131.38 143.23 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' GLU . 11.2 t60 -127.24 108.44 10.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.1 156.27 17.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -126.34 123.03 37.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 64' ' ' VAL . 73.5 mttt -71.47 150.07 45.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -82.03 -41.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 88' ' ' LYS . 15.5 p30 -97.06 -27.29 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 5.5 ptpt 38.67 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -163.38 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.75 138.03 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -82.3 134.23 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.015 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.515 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 19.5 m0 -90.17 141.27 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.2 4.39 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.65 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.82 131.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.863 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.07 -52.23 52.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 95' ' ' LEU . 9.9 m -124.87 155.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.65 HG22 ' NE ' ' A' ' 94' ' ' ARG . 75.4 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.733 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.2 p90 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.491 0.186 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.2 mtt-85 -100.73 146.77 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 50.9 p-90 -153.69 146.39 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 19' ' ' LEU . 44.6 p -141.48 -172.1 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.0 pt20 -178.94 155.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' THR . 14.9 t -121.75 38.53 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt 64.12 14.52 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 88' ' ' LYS . . . -141.55 -67.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -103.34 156.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -118.04 119.09 33.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -98.08 141.51 30.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.3 tp -139.07 141.8 38.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.54 121.32 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 55' ' ' VAL . 57.4 t -124.93 103.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 138.59 23.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -119.45 145.99 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -86.49 84.85 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.89 161.7 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 13.21 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.68 164.77 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 100.59 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' CD2' ' A' ' 49' ' ' LEU . 14.5 mt -54.18 136.04 43.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 mmtt -109.08 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.81 11.51 61.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 5.96 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -140.37 33.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 73' ' ' ILE . 23.1 t -128.66 170.39 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.536 ' N ' HG12 ' A' ' 36' ' ' VAL . 24.6 t -144.51 101.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 4.5 t -127.65 105.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -97.74 98.14 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.784 HG22 HG13 ' A' ' 66' ' ' VAL . 50.6 mt -89.86 113.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -115.77 -173.14 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.531 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -78.39 -38.94 40.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.88 56.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -177.14 140.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.018 HD22 HD11 ' A' ' 83' ' ' LEU . 5.6 tp -129.5 121.19 26.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttp180 -124.04 113.79 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 49.1 t -124.26 153.94 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.25 159.58 10.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' CD2' HD22 ' A' ' 31' ' ' LEU . 32.9 mt -82.95 137.67 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 132.89 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.37 -42.72 2.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.82 170.64 14.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.07 118.02 5.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 23' ' ' VAL . 4.3 p -77.83 2.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.77 HG23 HG13 ' A' ' 55' ' ' VAL . 8.1 t -150.99 130.55 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -171.6 112.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.06 155.48 12.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 97' ' ' THR . 34.5 tt0 -73.94 110.56 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 48.0 mt -43.53 163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 78.6 t80 -68.94 -31.5 70.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -153.22 163.82 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.33 158.76 6.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 42' ' ' ARG . 18.0 m -150.84 145.97 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.0 tttm -70.93 116.56 11.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.784 HG13 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -77.09 -64.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -41.92 -27.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.1 mm-40 -105.97 44.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.7 m -143.06 160.95 39.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -162.28 -176.82 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.659 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 65.1 p-90 -156.94 161.62 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.056 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -161.73 177.39 9.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 36' ' ' VAL . 20.5 mt -115.56 121.68 67.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -87.69 134.31 33.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 47.62 23.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.46 57.86 4.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -153.53 -42.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -115.89 144.79 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.15 130.9 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -116.31 140.8 48.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 40' ' ' ILE . 60.9 t -128.48 148.45 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -122.31 107.59 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.614 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD22 ' A' ' 45' ' ' LEU . 20.2 mt -102.72 141.44 35.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -116.56 120.4 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.97 156.05 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 mm -85.99 -47.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -93.45 -24.79 17.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 6.3 ptmt 40.57 75.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.3 tt0 -85.59 136.78 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 3.1 t-105 -86.17 134.24 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 22.8 m0 -80.16 153.17 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.33 -16.87 15.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.14 130.8 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.662 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -41.08 -57.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -123.56 146.42 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' GLU . 33.1 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.739 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.81 151.63 21.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 95' ' ' LEU . 28.2 p-90 -159.38 131.67 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 107.973 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.745 ' O ' HD23 ' A' ' 19' ' ' LEU . 34.0 p -130.07 -165.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -178.84 169.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.761 HG22 ' HG3' ' A' ' 18' ' ' GLU . 14.3 t -139.76 60.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.93 30.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' LYS . . . -166.09 -83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.761 ' HG3' HG22 ' A' ' 15' ' ' THR . 0.1 OUTLIER -82.54 155.82 24.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.65 128.49 51.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.49 145.43 34.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.744 HD23 ' HB ' ' A' ' 81' ' ' VAL . 6.8 tp -149.9 146.31 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.64 118.4 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 55' ' ' VAL . 55.4 t -112.35 100.07 48.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 122.32 7.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 12.9 m-85 -109.33 137.92 46.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 83.73 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 31' ' ' LEU . 2.9 m -125.71 154.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 11.05 37.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -139.29 166.61 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 111.99 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.896 ' O ' HD13 ' A' ' 73' ' ' ILE . 11.0 mt -70.2 114.09 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -86.2 159.08 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 51.01 2.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -143.69 -44.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.9 15.74 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 32' ' ' LYS . 15.2 t -111.39 168.56 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -145.31 121.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 47' ' ' VAL . 47.6 t -147.32 92.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.93 99.79 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.628 HG21 ' CB ' ' A' ' 69' ' ' SER . 33.5 mt -90.88 92.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -96.59 170.55 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -45.89 -55.76 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.3 51.25 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -159.9 133.21 6.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 tp -128.34 111.09 12.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.6 ttm180 -116.79 117.76 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 38' ' ' VAL . 40.9 t -135.15 123.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -161.19 89.2 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.7 mt -19.06 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -40.84 121.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.71 -35.73 4.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.94 168.67 16.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.321 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 150.7 38.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.614 HG13 HG23 ' A' ' 56' ' ' VAL . 3.7 p -73.42 -5.56 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 55' ' ' VAL . 4.0 t -139.39 115.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -160.57 94.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 96' ' ' VAL . . . -168.61 147.74 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -65.28 119.81 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 45.0 mt -52.06 162.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CE2' ' ND2' ' A' ' 62' ' ' ASN . 43.1 t80 -70.61 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.688 ' ND2' ' CE2' ' A' ' 61' ' ' TYR . 5.3 m-80 -154.47 151.52 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -47.7 155.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -147.34 129.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.96 99.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -74.63 -22.16 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.43 -11.77 61.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.02 -3.5 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 40' ' ' ILE . 61.1 m -78.14 150.03 33.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 p -158.95 134.71 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 59.8 p-90 -117.68 157.33 26.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 107.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.17 -179.03 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 31' ' ' LEU . 6.5 mt -118.18 129.06 75.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -102.41 132.6 48.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 36.6 m-20 55.7 17.26 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.515 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 47.97 40.82 20.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -137.09 -42.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.524 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -115.39 142.28 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG12 ' A' ' 73' ' ' ILE . 2.4 t -95.59 122.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -101.36 149.02 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.744 ' HB ' HD23 ' A' ' 21' ' ' LEU . 47.5 t -133.26 136.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -116.18 98.65 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.59 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -90.83 144.16 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -113.53 125.92 54.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 17' ' ' ALA . 96.9 mttt -73.81 132.99 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.9 mm -57.43 -59.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -19.79 23.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 85' ' ' LYS . 9.4 pttt 42.36 71.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -171.64 43.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.3 OUTLIER -168.93 136.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.432 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 7.9 t-105 -82.82 144.28 30.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.625 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 41.5 m0 -91.8 137.67 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 5.1 m-20 -89.67 -12.73 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -172.35 115.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.625 HD13 ' CE3' ' A' ' 12' ' ' TRP . 12.5 tp -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 58' ' ' GLY . 8.5 m -120.38 152.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.434 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 36.5 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 56' ' ' VAL . 19.5 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.534 0.207 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 17.1 ptt85 -101.95 153.61 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CE3' HD23 ' A' ' 95' ' ' LEU . 31.5 p-90 -157.78 154.92 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -147.35 -158.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.441 ' N ' ' OG1' ' A' ' 13' ' ' THR . 14.6 pt20 170.5 178.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 p -142.7 48.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 46.72 26.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.89 -64.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -110.95 164.62 12.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' HE3' ' A' ' 85' ' ' LYS . 0.4 OUTLIER -104.05 158.18 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' THR . 58.8 m-20 -143.7 123.15 13.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -134.3 146.94 50.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.873 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.84 130.35 18.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE1' ' A' ' 25' ' ' PHE . 3.5 t -126.57 100.41 28.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.07 119.88 5.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 49' ' ' LEU . 12.9 m-85 -102.12 118.61 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 86.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.978 HG21 HD21 ' A' ' 31' ' ' LEU . 5.7 m -130.99 -177.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.63 2.38 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.3 p90 -124.68 179.43 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.97 103.11 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 27' ' ' VAL . 1.9 mm? -51.52 122.52 8.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.3 mmtt -90.59 166.79 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 46.79 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.31 -45.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -92.5 34.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 32' ' ' LYS . 11.6 t -126.78 168.74 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 47' ' ' VAL . 75.1 t -145.83 121.01 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.853 HG11 ' CG ' ' A' ' 71' ' ' TRP . 37.8 t -145.26 92.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -90.35 87.5 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.872 HG21 ' CB ' ' A' ' 69' ' ' SER . 84.8 mt -84.07 88.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -94.03 170.28 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.7 tpt180 -49.32 -47.88 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.18 51.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -163.07 133.88 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 81' ' ' VAL . 14.2 tp -130.47 108.07 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 17.2 ttm-85 -113.8 93.43 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 17.2 t -104.64 165.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 146.44 162.4 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 25' ' ' PHE . 52.4 mt -76.89 128.06 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.6 tttt -39.28 135.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.76 -43.87 3.02 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -73.78 171.14 11.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.799 HG13 HG23 ' A' ' 56' ' ' VAL . 8.7 p -70.25 -7.28 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.799 HG23 HG13 ' A' ' 55' ' ' VAL . 21.9 t -136.16 116.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -157.94 138.79 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.63 157.49 7.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.3 113.88 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 64' ' ' VAL . 46.4 mt -45.45 164.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 90.0 t80 -59.18 -37.77 78.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -160.71 172.36 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.407 ' CB ' HG13 ' A' ' 86' ' ' ILE . 42.9 mt-10 -55.89 144.81 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.616 HG21 HD13 ' A' ' 60' ' ' LEU . 3.7 m -141.49 129.69 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -52.66 100.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.5 m -75.08 -22.11 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.92 -17.59 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.52 -11.9 14.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.872 ' CB ' HG21 ' A' ' 40' ' ' ILE . 3.2 m -65.01 151.56 45.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -152.73 135.64 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.853 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -126.57 149.81 49.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.824 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -156.05 165.93 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.573 HG22 ' HA2' ' A' ' 76' ' ' GLY . 1.8 mp -101.62 102.99 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.48 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 1.7 m-20 48.54 23.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.43 55.74 4.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.742 ' HG3' HG13 ' A' ' 78' ' ' VAL . 15.6 pttt -156.76 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.742 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -112.88 135.26 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.421 HG21 ' HE2' ' A' ' 25' ' ' PHE . 3.1 t -86.92 108.4 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -94.41 145.11 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 45' ' ' LEU . 88.6 t -135.38 148.52 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.65 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.31 118.14 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -105.76 140.87 38.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -101.75 116.07 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 19' ' ' LEU . 69.3 mttt -61.79 143.56 56.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' CB ' ' A' ' 63' ' ' GLU . 12.2 mm -74.61 -29.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -108.14 -33.14 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' CG ' ' C ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER 40.7 73.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.47 -43.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.476 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -89.65 -169.31 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -124.43 135.81 53.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 29.2 m0 -81.9 119.42 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 108.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -65.72 -10.52 37.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -159.41 -155.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.2 tm? -117.15 -49.95 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.479 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -128.46 130.53 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 60' ' ' LEU . 43.7 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 55' ' ' VAL . 27.4 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.4 ptp180 -100.58 148.84 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 21.8 p-90 -157.83 132.78 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -129.14 -169.68 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 26.5 pt20 179.42 149.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -111.22 31.09 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.4 9.73 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.78 -49.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 34.5 mt-10 -115.71 160.32 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -123.12 123.82 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -105.86 150.31 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.928 HD21 HG21 ' A' ' 56' ' ' VAL . 15.7 tp -152.91 141.83 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.87 121.44 11.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.695 ' CG1' HG21 ' A' ' 55' ' ' VAL . 48.1 t -120.44 102.35 45.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.03 139.75 24.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.1 m-85 -122.79 138.5 54.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 84.08 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.42 160.04 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.12 10.14 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -138.25 164.23 29.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 89.6 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.91 136.21 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.7 mmtt -96.76 -169.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.41 36.61 4.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -135.58 -47.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.23 -9.36 31.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.53 164.04 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -134.8 99.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.856 HG22 HG13 ' A' ' 47' ' ' VAL . 42.3 t -117.69 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -98.65 110.06 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.701 HG21 ' HB3' ' A' ' 69' ' ' SER . 85.4 mt -106.53 98.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -95.81 172.13 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -51.7 -56.85 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.2 52.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -171.77 120.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 40' ' ' ILE . 17.1 tp -115.35 131.66 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' ASP . 21.2 ttm180 -140.34 123.45 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.856 HG13 HG22 ' A' ' 38' ' ' VAL . 63.6 t -140.23 110.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HG13 ' A' ' 37' ' ' VAL . . . -148.28 177.49 26.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 25' ' ' PHE . 98.2 mt -103.22 113.47 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -36.88 124.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.53 -28.5 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -100.05 171.4 5.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 132.71 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.08 145.59 31.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.695 HG21 ' CG1' ' A' ' 23' ' ' VAL . 15.4 t -88.6 -34.7 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 21' ' ' LEU . 21.2 t -114.55 134.43 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -176.81 95.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.0 158.28 19.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 97' ' ' THR . 24.6 tt0 -69.22 143.21 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.25 145.37 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 6.5 t80 -63.08 -8.84 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.471 ' O ' HG13 ' A' ' 64' ' ' VAL . 24.1 t30 -167.52 125.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 52.5 mt-10 -33.99 117.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 60' ' ' LEU . 4.7 m -104.59 127.86 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.8 tttt -60.55 106.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 1.3 m -67.67 -31.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -62.57 -30.21 71.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.27 2.54 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.701 ' HB3' HG21 ' A' ' 40' ' ' ILE . 69.6 m -91.03 138.22 31.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.1 m -151.24 134.88 16.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.82 ' CG ' HG11 ' A' ' 38' ' ' VAL . 27.5 p-90 -121.14 162.76 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 74' ' ' GLU . 1.2 pp -160.98 161.15 31.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 79' ' ' VAL . 9.5 mt -105.27 105.4 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HG2' HD11 ' A' ' 72' ' ' LEU . 1.3 mt-10 -72.7 136.92 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.48 27.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.547 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 40.87 49.78 4.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.751 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.5 pttt -140.39 -47.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -115.06 144.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 73' ' ' ILE . 5.1 t -96.71 119.18 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -103.41 134.08 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 47' ' ' VAL . 49.0 t -122.54 145.02 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -130.05 104.24 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 160.58 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -137.48 108.98 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 92' ' ' TRP . 10.7 mttt -59.75 145.72 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -72.14 -29.91 34.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 88' ' ' LYS . 28.0 m120 -101.46 -29.26 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 32.41 71.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -158.08 -43.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' ' SD ' ' A' ' 89' ' ' MET . 9.4 pt-20 -82.26 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 92' ' ' TRP . 2.1 t-105 -110.29 128.22 55.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 19' ' ' LEU . 22.2 m0 -70.82 166.44 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.4 m-20 -114.57 -19.39 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -163.38 133.42 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.945 HD13 HG13 ' A' ' 96' ' ' VAL . 2.4 tm? -33.66 -61.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.945 HG13 HD13 ' A' ' 95' ' ' LEU . 1.6 m -122.42 165.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 59' ' ' GLU . 50.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t 59.56 92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -125.8 -55.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.27 -54.14 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -106.58 140.59 39.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.16 158.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.2 169.94 22.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.57 ' ND2' HG13 ' A' ' 55' ' ' VAL . 58.9 t-20 -136.99 -46.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.552 ' CB ' HG22 ' A' ' 23' ' ' VAL . 13.3 p90 -120.21 155.59 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -89.28 142.19 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.626 ' CE3' HD23 ' A' ' 95' ' ' LEU . 38.6 p-90 -158.79 162.56 37.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.867 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.1 t -161.04 -147.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.177 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' N ' ' OG1' ' A' ' 13' ' ' THR . 3.3 pm0 177.13 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' THR . 10.3 t -161.4 56.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.71 30.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -160.27 -85.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.4 pp20? -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -106.54 165.71 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 8.3 m-20 -145.06 129.52 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.901 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -129.01 144.99 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.901 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.24 131.41 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG22 ' CB ' ' A' ' 10' ' ' TYR . 59.7 t -132.89 106.47 12.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 150.47 38.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 49' ' ' LEU . 15.5 m-85 -135.32 146.19 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 84.46 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 31' ' ' LEU . 2.6 m -122.46 167.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.34 10.54 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -137.1 176.76 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -93.98 93.74 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.1 mt -51.05 138.77 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.636 ' O ' HG23 ' A' ' 36' ' ' VAL . 9.4 mttm -109.34 168.99 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.67 52.08 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -143.15 -45.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -91.19 22.88 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 73' ' ' ILE . 29.7 t -111.56 171.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.545 ' N ' HG12 ' A' ' 36' ' ' VAL . 75.9 t -144.43 116.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 71' ' ' TRP . 22.2 t -141.82 106.29 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -107.56 80.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.802 HG21 ' CB ' ' A' ' 69' ' ' SER . 52.6 mt -77.84 95.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -97.19 172.58 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.84 -49.18 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.79 51.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 58' ' ' GLY . 4.2 t-160 -174.29 128.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.004 HD22 ' CD1' ' A' ' 83' ' ' LEU . 20.1 tp -120.18 107.27 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -113.19 119.25 37.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 69.1 t -128.7 158.52 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 161.45 -179.95 36.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 25' ' ' PHE . 92.5 mt -105.19 133.51 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -44.62 125.89 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.12 -28.65 5.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -90.41 169.59 11.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 142.49 28.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.96 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.527 1.803 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.57 HG13 ' ND2' ' A' ' 9' ' ' ASN . 11.9 t -56.06 -32.71 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 45' ' ' LEU . 40.0 t -116.91 136.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -174.51 96.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -178.71 164.84 33.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.63 119.0 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.611 HD13 HG21 ' A' ' 64' ' ' VAL . 17.3 mt -51.44 168.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 15.8 t80 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 63' ' ' GLU . 12.9 t-20 -178.76 161.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 57.7 mt-10 -50.91 150.97 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 42' ' ' ARG . 12.9 m -148.81 136.22 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.17 105.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.7 m -80.43 -35.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -56.92 -29.58 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -105.29 29.04 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.802 ' CB ' HG21 ' A' ' 40' ' ' ILE . 6.3 p -90.71 176.4 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.78 169.02 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CD1' HG11 ' A' ' 38' ' ' VAL . 61.0 p-90 -168.48 156.1 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.048 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.07 174.48 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 36' ' ' VAL . 44.1 mt -113.56 109.75 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -85.29 141.34 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.19 23.15 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 51.04 44.24 50.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 31' ' ' LEU . 15.8 pttt -163.91 -54.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG23 ' HG3' ' A' ' 77' ' ' LYS . 39.1 t -71.11 130.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.32 116.47 44.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -107.0 138.18 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.828 HG11 HD11 ' A' ' 45' ' ' LEU . 54.1 t -120.51 143.38 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 65.0 t60 -115.75 109.5 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.004 ' CD1' HD22 ' A' ' 45' ' ' LEU . 17.4 mt -102.7 149.35 24.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.74 130.78 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -73.64 156.75 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mm -81.85 -31.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -101.7 -40.55 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.582 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.49 47.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 89' ' ' MET . 2.5 ppp? -168.19 45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -150.48 135.19 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -87.82 132.15 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.606 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 33.5 m0 -93.93 141.13 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.56 -2.72 35.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.14 148.96 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.693 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -66.56 -54.3 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -125.27 148.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 75.3 p -72.53 -32.16 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 p -127.63 107.98 10.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.87 162.0 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -143.68 -89.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.602 HG22 ' H ' ' A' ' 103' ' ' ASN . 7.5 mt -87.5 173.46 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 104' ' ' THR . 5.5 m-80 -132.38 29.52 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 103' ' ' ASN . 9.2 t 47.46 -170.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 104' ' ' THR . 2.0 ptpt -94.79 179.87 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.9 mp -40.7 -85.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -60.01 130.55 88.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -64.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.23 115.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -124.74 60.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.42 27.83 8.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -114.37 179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.06 108.83 10.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.0 p -43.64 107.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -170.65 82.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.9 mt -148.49 179.62 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -168.24 123.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.67 125.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 121' ' ' THR . 0.2 OUTLIER -126.78 -145.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 13.3 t -173.71 168.08 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.64 117.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.07 172.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -130.71 169.1 16.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 125' ' ' VAL . 12.3 p -154.18 116.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.4 p -100.94 157.64 16.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -120.6 98.16 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.81 9.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.55 175.64 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 72.8 m -146.12 173.01 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -154.06 143.33 21.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t -89.92 154.19 20.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.79 120.71 1.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.06 73.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 55.77 101.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.02 160.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -29.54 46.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.41 ' CD1' HG12 ' A' ' 55' ' ' VAL . 36.0 p90 -143.04 162.42 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.601 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -106.68 143.54 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 12.3 p-90 -151.25 132.13 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.4 p -137.71 -164.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -178.64 161.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.476 HG23 ' OE2' ' A' ' 18' ' ' GLU . 22.6 p -122.37 35.5 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt 61.04 15.75 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.17 -53.46 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' OE2' HG23 ' A' ' 15' ' ' THR . 0.7 OUTLIER -114.99 159.47 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD12 ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -118.83 128.49 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -112.3 130.25 56.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.97 144.31 47.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -145.43 138.52 26.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.73 HG12 ' CE1' ' A' ' 25' ' ' PHE . 60.4 t -135.19 102.77 10.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.98 142.86 28.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CE1' HG12 ' A' ' 23' ' ' VAL . 20.9 m-30 -125.74 148.83 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 87.34 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 31' ' ' LEU . 5.1 m -132.58 163.97 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.0 9.59 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -136.67 -177.46 4.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.52 99.26 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.543 HD11 HG11 ' A' ' 27' ' ' VAL . 13.5 mt -57.72 140.0 52.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 15.6 mttt -101.54 -171.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 26.39 22.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -119.63 -37.4 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 0.805 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.21 35.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.537 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -146.98 165.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.537 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 97.7 t -136.3 96.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 ' CG ' ' A' ' 71' ' ' TRP . 44.5 t -116.53 99.6 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.53 110.71 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 HG21 ' CB ' ' A' ' 69' ' ' SER . 78.3 mt -104.63 93.41 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.23 170.67 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -57.5 -50.61 72.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.72 51.94 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -172.76 137.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.2 tp -127.49 140.41 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 36.7 ttp180 -144.36 107.9 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 78.2 t -121.15 149.37 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.33 166.34 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 57.0 mt -84.24 139.55 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.63 126.44 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.67 -41.4 2.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.75 168.21 13.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.0 136.39 20.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.95 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 10' ' ' TYR . 13.6 t -56.14 -36.84 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 20.9 t -113.51 130.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -172.31 105.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.58 172.75 42.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.25 119.61 25.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 35.5 mt -58.87 166.32 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 5.0 t80 -67.41 -36.54 81.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -151.67 -177.89 6.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.9 152.78 38.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 85' ' ' LYS . 6.6 m -143.34 133.26 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.8 tttt -55.95 103.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -79.56 -22.38 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -22.91 61.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.48 -3.95 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.5 m -77.18 139.91 40.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.0 p -147.12 140.51 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.762 ' CG ' HG11 ' A' ' 38' ' ' VAL . 50.5 p-90 -125.99 160.03 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -154.95 173.66 16.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.849 HG12 HG22 ' A' ' 79' ' ' VAL . 30.2 mt -116.14 105.99 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.69 134.2 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 48.31 24.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.662 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.58 47.73 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.667 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.0 ptmt -137.97 -46.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.96 141.61 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 73' ' ' ILE . 2.5 t -93.16 114.11 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -96.8 133.99 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' A' ' 21' ' ' LEU . 87.4 t -122.02 133.51 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -119.52 105.16 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 132.86 36.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -103.97 103.81 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 64' ' ' VAL . 92.3 mttt -50.85 155.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.9 mm -75.02 -64.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 74.8 m-20 -89.81 -15.35 32.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER 47.36 25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -125.47 47.64 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -155.45 143.99 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -98.52 137.51 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.51 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 20.3 m0 -99.73 143.32 30.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -108.86 -0.7 19.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.533 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.85 127.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.729 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.7 tm? -43.26 -54.89 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.3 m -129.08 152.75 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.533 HG22 ' NE ' ' A' ' 94' ' ' ARG . 43.0 p -75.96 -29.57 58.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -123.67 84.58 2.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 102' ' ' ILE . 46.0 p-10 -65.11 140.59 98.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -60.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.4 pt-20 -38.4 -50.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 103' ' ' ASN . 46.3 mt 64.37 166.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.498 ' N ' HG22 ' A' ' 102' ' ' ILE . 1.3 t-20 -48.52 -56.51 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 104' ' ' THR . 17.6 p -71.07 126.95 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.05 -177.4 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 107' ' ' ILE . 8.8 tttt -51.38 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -33.27 -80.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -128.61 137.81 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 70.36 109.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.4 173.3 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 91.33 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.58 176.03 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.6 109.88 6.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 m -119.49 85.79 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.73 88.87 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.45 155.53 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.25 152.92 22.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.7 t -174.56 120.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -167.72 124.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 t -140.78 167.15 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.68 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 t -152.07 173.55 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.22 112.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 125' ' ' VAL . 6.2 p -140.45 101.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 147.37 51.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -168.58 97.24 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.61 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.1 p -172.46 169.93 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t -177.92 170.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -67.37 148.78 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -131.57 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.56 -145.23 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -98.44 -171.96 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 p -141.49 168.8 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.24 147.95 10.75 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.479 ' OD1' HG23 ' A' ' 104' ' ' THR . 0.1 OUTLIER -153.08 -46.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.638 ' HB2' HG22 ' A' ' 23' ' ' VAL . 26.9 p90 -77.68 158.76 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' HD12 ' A' ' 21' ' ' LEU . 47.4 mtp85 -100.51 138.25 37.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 44.4 p-90 -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.541 ' O ' HD23 ' A' ' 19' ' ' LEU . 48.6 p -122.57 -165.18 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 179.94 171.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -143.59 41.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt 58.59 17.01 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.59 -69.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -95.37 155.68 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -121.42 121.25 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CB ' ' OG1' ' A' ' 13' ' ' THR . 0.5 OUTLIER -99.59 144.75 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 22' ' ' ALA . 15.1 tp -146.82 136.52 23.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.28 117.89 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.3 t -119.0 105.16 45.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.12 42.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.8 m-85 -135.65 162.12 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.98 98.17 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.024 HG21 HD21 ' A' ' 31' ' ' LEU . 1.5 m -141.55 165.88 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.44 12.76 22.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -137.33 175.51 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 128.26 34.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.024 HD21 HG21 ' A' ' 27' ' ' VAL . 3.9 mm? -68.11 128.43 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 1.032 ' O ' HG23 ' A' ' 36' ' ' VAL . 10.4 mttt -100.62 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.86 -18.05 70.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -1.4 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.89 -4.9 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 32' ' ' LYS . 29.3 t -101.73 168.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.5 t -146.07 118.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 40' ' ' ILE . 43.1 t -139.62 105.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -99.55 96.7 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.901 HG21 ' CB ' ' A' ' 69' ' ' SER . 49.3 mt -93.5 96.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 12.3 mm-40 -101.78 177.1 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.34 -53.2 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.72 49.97 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -166.02 129.38 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 83' ' ' LEU . 18.7 tp -119.93 148.33 43.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 112.14 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 90.1 t -122.62 160.88 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 148.2 162.67 10.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.936 HD21 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -84.38 131.95 34.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -40.09 130.44 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -41.54 3.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.59 167.06 38.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 133.92 17.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.02 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -55.62 -32.39 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.15 134.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.39 81.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.01 166.23 33.45 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.18 112.9 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 45' ' ' LEU . 51.6 mt -46.82 165.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 5.5 t80 -73.06 -26.71 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -159.18 172.49 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.79 155.2 38.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 42' ' ' ARG . 13.7 m -149.81 137.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLU . 12.0 tttt -62.3 108.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.2 m -78.97 -37.86 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.91 -20.25 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.8 25.81 10.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.901 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.3 m -104.55 161.78 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.5 p -162.55 -179.42 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -167.24 153.62 8.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.603 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -154.17 176.32 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' ' 31' ' ' LEU . 3.5 mt -112.19 126.12 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -94.91 144.75 25.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.5 22.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 47.93 52.91 15.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.887 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -171.86 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.336 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG23 ' CD ' ' A' ' 77' ' ' LYS . 99.6 t -90.69 143.74 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.481 HG21 ' HE2' ' A' ' 25' ' ' PHE . 11.4 t -101.07 138.34 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -132.91 140.21 47.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.56 153.34 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -129.58 107.81 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 45' ' ' LEU . 40.5 mt -104.45 154.9 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -129.98 132.08 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -75.95 151.93 37.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.8 mm -76.26 -48.74 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.35 -39.58 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.79 49.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.4 ' O ' ' SD ' ' A' ' 89' ' ' MET . 1.9 ppp? -161.05 26.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -132.02 137.8 47.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -91.36 134.79 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 107.95 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.442 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 34.9 m0 -95.9 141.66 29.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -98.66 -3.95 34.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.763 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -173.42 150.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 96' ' ' VAL . 1.8 tm? -63.51 -56.76 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -127.49 152.35 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.763 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 40.6 p -74.55 -31.19 62.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.61 119.63 15.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -85.02 158.81 58.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 7.3 pt-20 -149.77 106.11 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.3 pt -71.7 149.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -107.65 -30.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.479 HG23 ' OD1' ' A' ' 9' ' ' ASN . 73.8 p -78.72 174.82 11.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -152.12 163.57 39.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.19 146.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.5 mt -62.65 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -161.88 151.06 13.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -123.89 -137.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 166.88 168.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.5 p -129.14 92.55 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 133.09 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.51 75.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.0 77.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.93 90.96 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.12 -178.18 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -60.73 128.43 36.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.02 100.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.26 97.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.8 t -67.7 161.64 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.11 147.49 32.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.28 140.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -153.81 143.0 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 126' ' ' SER . 14.4 m -128.53 -147.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -177.07 170.05 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -153.21 96.07 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.66 9.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.31 167.2 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.6 t -162.93 169.84 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 69.8 -61.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.969 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.24 125.37 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.05 -80.39 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 161.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.58 121.1 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.4 141.47 3.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 18.5 Cg_endo -74.94 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 108' ' ' ASN . 2.0 m-20 -110.45 36.54 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 18.3 p90 -156.4 169.61 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.3 mtt180 -103.93 144.6 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 43.6 p-90 -153.93 128.03 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 p -126.07 -160.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 174.19 170.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -128.99 34.03 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 1.0 OUTLIER 65.85 11.69 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.77 -56.15 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.85 156.13 19.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.742 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -115.82 130.82 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 3.3 m-20 -113.6 146.19 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 11' ' ' ARG . 14.2 tp -149.98 141.88 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.7 117.0 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 10' ' ' TYR . 28.1 t -117.04 104.17 51.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 151.88 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.751 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.2 m-85 -133.96 145.44 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.44 91.86 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.13 166.07 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.1 0.44 13.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.18 169.3 10.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -88.77 108.45 19.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.69 127.78 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -93.22 175.74 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.75 -12.56 80.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HG2' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -105.23 11.25 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -11.99 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -117.72 167.22 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.2 t -134.75 97.11 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG11 ' CG ' ' A' ' 71' ' ' TRP . 13.6 t -111.38 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -101.73 101.51 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 69' ' ' SER . 71.0 mt -98.3 98.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -99.22 175.43 5.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.59 -52.23 65.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.1 52.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.94 136.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB2' HD11 ' A' ' 60' ' ' LEU . 20.2 tp -130.68 116.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -120.16 116.02 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 65.8 t -129.73 149.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 156.6 154.63 7.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.4 mm? -76.78 127.98 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 5.0 tttt -38.19 129.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.22 -39.61 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -77.02 167.5 36.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.4 Cg_endo -74.99 119.32 5.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.22 -31.93 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 45' ' ' LEU . 18.3 t -119.72 139.08 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' HB3' ' A' ' 100' ' ' PRO . 39.9 t0 179.49 37.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 164.59 12.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.89 105.69 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 64' ' ' VAL . 63.3 mt -43.67 159.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 51.1 t80 -50.77 -33.34 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.84 -177.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -54.14 145.75 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 60' ' ' LEU . 9.7 m -147.85 134.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.91 105.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.45 -36.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.18 3.89 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.518 ' HB2' HG21 ' A' ' 40' ' ' ILE . 2.0 p -78.56 162.35 26.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.4 p -167.94 135.28 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.827 ' CG ' HG11 ' A' ' 38' ' ' VAL . 37.2 p-90 -131.33 161.04 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.57 168.81 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.693 HD11 HG11 ' A' ' 36' ' ' VAL . 41.5 mt -109.77 113.09 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -83.59 145.43 28.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.35 30.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 45.14 38.33 6.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -152.77 -50.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' LYS . 54.6 t -78.1 146.29 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.21 114.99 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.8 p -103.59 152.52 21.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 47' ' ' VAL . 39.1 t -137.19 143.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -125.74 101.81 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.608 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.97 143.24 26.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.14 122.91 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 87.1 mttt -70.99 137.82 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.4 -49.71 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 33.0 m-80 -88.98 -33.22 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 9.8 pttt 44.68 60.15 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.56 23.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.39 124.61 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -70.08 142.72 52.61 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.742 ' CE3' HD11 ' A' ' 19' ' ' LEU . 40.2 m0 -91.18 153.4 20.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -119.76 14.66 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.493 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -178.19 124.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.849 HD12 HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -52.17 -50.12 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.849 HG13 HD12 ' A' ' 95' ' ' LEU . 6.3 m -120.23 174.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' NE ' ' A' ' 94' ' ' ARG . 69.8 p -117.54 -30.84 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 99' ' ' ASP . 58.3 m -119.7 11.3 11.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.768 ' HA ' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER 51.69 172.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.454 ' HB3' ' N ' ' A' ' 57' ' ' ASP . 18.3 Cg_endo -74.96 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -143.8 -51.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 103' ' ' ASN . 28.6 mt -110.24 162.44 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' N ' HG22 ' A' ' 102' ' ' ILE . 1.1 t-20 -172.8 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p 42.45 -165.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -97.46 50.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.17 117.05 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 8' ' ' PRO . 9.9 mt -81.98 -65.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.446 ' OD1' ' ND2' ' A' ' 9' ' ' ASN . 1.2 t30 -172.17 152.74 2.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.63 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.81 110.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -149.99 96.44 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -164.38 169.39 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -100.63 179.47 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.46 109.72 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -120.35 77.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -129.87 90.51 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -107.78 172.19 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -170.75 167.06 7.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.45 97.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -124.71 99.78 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.6 t -127.17 164.34 21.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 166.5 140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 p -175.27 166.55 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -169.18 133.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.78 HG13 ' N ' ' A' ' 126' ' ' SER . 3.1 p -129.83 -146.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.78 ' N ' HG13 ' A' ' 125' ' ' VAL . 0.6 OUTLIER 170.93 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.76 108.34 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.73 4.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.5 164.75 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.94 164.02 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.04 118.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -39.56 115.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 86.16 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.21 149.12 11.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m 55.69 168.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.19 -168.44 39.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -53.96 -24.8 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' VAL . 35.0 p90 -166.28 159.91 15.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.38 148.6 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 95' ' ' LEU . 26.4 p-90 -159.06 134.73 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -137.35 -160.85 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 9.3 pm0 179.81 167.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 15' ' ' THR . 9.0 t -131.49 56.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 89' ' ' MET . 0.2 OUTLIER 39.62 34.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -159.82 -69.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.525 ' OE1' ' CD2' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -105.46 173.42 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 140.34 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 7.7 m-20 -125.73 128.43 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -131.34 143.49 50.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.695 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.41 128.4 17.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 21' ' ' LEU . 21.8 t -127.43 105.08 21.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.77 41.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -132.95 140.66 47.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.08 86.02 6.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 77' ' ' LYS . 4.8 m -128.1 162.88 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.15 7.79 16.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -137.21 168.61 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 114.54 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 77' ' ' LYS . 15.7 mt -72.75 132.06 43.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 19.7 mmtt -90.53 -173.67 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.45 13.79 61.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -25.02 7.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -91.48 20.12 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -137.83 166.32 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.548 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 57.8 t -134.03 100.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.861 HG11 ' CG ' ' A' ' 71' ' ' TRP . 53.8 t -117.38 98.85 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -99.34 112.07 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 69' ' ' SER . 90.8 mt -106.43 99.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 29.9 mm-40 -103.53 176.06 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -62.89 -51.49 66.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.36 50.66 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.66 133.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 83' ' ' LEU . 15.1 tp -130.03 127.21 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -129.48 106.27 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 HG21 ' A' ' 81' ' ' VAL . 90.9 t -118.98 150.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.4 -174.74 37.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 65.5 mt -106.68 129.98 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -39.46 130.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.32 -39.44 2.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -79.78 168.38 26.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 142.4 27.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.98 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.61 -36.57 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.88 126.9 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.24 121.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.57 156.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.85 112.64 7.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.746 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.0 mt -46.91 163.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 82.5 t80 -69.87 -36.32 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -147.89 162.28 39.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 67.7 mt-10 -61.65 142.9 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 m -132.18 134.55 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -56.7 104.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.98 -36.37 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.95 -38.77 73.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -89.56 -14.78 34.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.823 ' HB3' HG21 ' A' ' 40' ' ' ILE . 36.3 m -64.95 143.85 57.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 m -153.34 130.17 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.861 ' CG ' HG11 ' A' ' 38' ' ' VAL . 25.2 p-90 -112.76 162.91 15.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.8 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 72' ' ' LEU . 56.8 mt -123.29 112.79 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.2 mm-40 -93.24 137.11 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.45 12.61 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.95 45.93 93.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.73 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -170.98 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' GLU . 57.5 t -82.05 116.52 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.2 t -90.9 116.63 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.1 p -104.31 143.46 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 21' ' ' LEU . 71.8 t -128.27 131.88 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.525 ' CD2' ' OE1' ' A' ' 18' ' ' GLU . 25.4 t-80 -115.24 116.79 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 45' ' ' LEU . 79.5 mt -114.28 146.94 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' VAL . 9.8 tm-20 -116.42 112.15 21.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -56.45 124.55 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mm -63.57 -23.72 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 88' ' ' LYS . 7.1 t30 -96.86 -59.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 89' ' ' MET . 7.1 pttt 90.3 128.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 36.3 mtp 76.05 53.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -141.96 96.83 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.604 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 28.9 m0 -78.34 128.57 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 107.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -77.06 -12.0 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -176.82 123.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.701 HD13 ' CE3' ' A' ' 12' ' ' TRP . 16.0 tp -43.05 -55.56 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 m -121.32 163.01 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 39.3 p -92.25 -28.58 16.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.13 99.17 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.02 157.83 78.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -75.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -115.82 -58.89 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.47 155.39 8.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.82 -42.57 6.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 105' ' ' LYS . 3.4 t -164.89 -167.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 104' ' ' THR . 16.8 ttmm -116.93 153.65 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 111.72 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.3 mm -95.12 -70.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -79.96 156.27 74.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 111' ' ' ASN . 0.1 OUTLIER -125.4 -139.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 110' ' ' GLU . 2.2 t-20 172.04 145.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -148.11 76.3 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -146.52 178.57 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.08 110.03 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.56 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.6 89.34 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tp -107.48 122.2 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -171.46 122.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.87 97.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -129.51 -147.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 t -171.79 169.46 5.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.09 124.4 41.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.5 p 179.84 171.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.86 152.73 20.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 126' ' ' SER . 1.9 t -125.57 -141.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 125' ' ' VAL . 11.5 p 176.66 123.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -163.55 106.63 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.31 3.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.99 173.09 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.57 155.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.18 -59.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.801 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -86.35 -58.5 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.47 176.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -173.8 164.67 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.736 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.67 158.81 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.07 -148.94 1.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.8 -19.36 40.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -135.18 159.59 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -98.59 138.25 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 48.4 p-90 -154.14 130.74 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.6 p -130.26 -153.28 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' OE1' HD21 ' A' ' 19' ' ' LEU . 7.0 pt20 173.2 -175.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 17' ' ' ALA . 1.5 t -155.83 53.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 44.23 26.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -151.09 -77.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 157.55 16.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -113.08 134.26 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.67 143.89 41.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.724 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.1 tp -151.24 140.98 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -143.75 115.63 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -113.87 105.64 54.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.984 ' CD2' HD11 ' A' ' 49' ' ' LEU . 14.2 m-85 -138.2 147.19 43.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.34 76.93 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.46 163.48 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.04 13.37 18.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -138.58 179.6 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -97.88 105.26 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.6 mt -55.71 126.07 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.16 -47.54 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.64 -13.26 4.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -87.1 -10.21 53.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.37 3.69 20.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD2' ' A' ' 49' ' ' LEU . 35.5 t -112.79 165.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.616 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -141.18 127.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.749 ' HA ' HG22 ' A' ' 47' ' ' VAL . 75.8 t -146.35 92.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -88.33 99.53 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.758 HG21 ' HB3' ' A' ' 69' ' ' SER . 94.3 mt -93.8 89.98 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.77 167.81 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -54.65 -46.43 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 50.89 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -172.68 133.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 36.0 tp -135.09 112.3 10.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.3 ttm180 -119.03 115.93 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' ' 38' ' ' VAL . 92.7 t -134.33 120.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.624 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -164.5 92.75 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 25' ' ' PHE . 61.9 mt -20.22 114.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -37.09 117.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.93 -27.1 21.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -99.93 170.17 7.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.0 137.64 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 113.33 3.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.56 -33.27 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 21' ' ' LEU . 8.7 t -112.43 108.65 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -152.53 110.85 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.02 174.59 37.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -87.46 118.03 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 64' ' ' VAL . 47.7 mt -51.17 167.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 6.0 t80 -65.21 -32.27 73.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -167.32 -174.06 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.81 142.31 56.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.9 m -137.92 133.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.3 tttt -56.96 99.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 m -75.5 -30.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -17.85 55.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.97 -4.32 16.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.758 ' HB3' HG21 ' A' ' 40' ' ' ILE . 14.3 m -79.9 155.04 27.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.3 p -167.71 140.99 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -119.48 162.13 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -158.2 156.55 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 31' ' ' LEU . 5.2 mt -92.64 125.54 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.6 OUTLIER -103.21 137.87 40.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.52 15.68 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.11 43.88 93.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.916 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -168.24 -45.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 24' ' ' PRO . 75.1 t -81.52 151.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -116.72 134.33 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.6 p -122.2 139.35 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.4 146.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -130.54 101.94 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.76 150.77 21.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.4 mt-10 -127.62 125.87 41.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 31.4 mttt -70.13 153.69 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 mm -79.12 -31.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -96.2 -48.23 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 66.89 61.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.24 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 152.89 44.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -103.12 124.13 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 18.4 m0 -78.13 143.09 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -106.97 1.86 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.28 153.45 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.509 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -66.18 -56.66 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.509 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.6 m -120.96 148.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.461 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 41.4 p -72.55 -30.93 64.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 p -117.41 94.19 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.448 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 4.4 p30 -65.46 139.98 97.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -89.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -102.55 -38.59 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.0 mt -119.03 160.72 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.448 ' ND2' ' HB3' ' A' ' 99' ' ' ASP . 11.7 t-20 -152.49 -62.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.436 HG23 ' OD1' ' A' ' 103' ' ' ASN . 44.8 p -119.01 147.38 44.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.42 138.22 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.15 145.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.2 mp -48.01 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -139.2 140.63 26.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -69.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -157.76 106.8 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -139.87 162.74 34.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 m -136.84 98.45 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 175.18 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -114.81 96.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.99 81.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.8 67.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.956 ' O ' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -79.08 155.79 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.744 ' N ' HD22 ' A' ' 117' ' ' LEU . 37.9 t70 -124.98 140.87 52.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.74 123.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.16 103.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.445 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 8.8 t -124.72 153.94 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 121' ' ' THR . 0.5 OUTLIER -177.89 164.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.98 163.5 28.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.0 130.16 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.88 122.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.7 t -163.05 152.41 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.64 154.97 15.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 p -155.69 168.56 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.5 p -155.67 164.07 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -115.41 142.08 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -68.66 168.52 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.73 176.11 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.31 170.95 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.776 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.79 107.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 173.24 12.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.534 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.01 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -103.55 37.48 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' VAL . 20.2 p90 -161.71 165.29 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' HD22 ' A' ' 21' ' ' LEU . 3.7 ptp180 -102.51 142.96 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.7 p-90 -149.28 138.21 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p -139.39 172.79 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 16.2 pt20 -163.29 152.98 15.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.406 ' C ' ' N ' ' A' ' 17' ' ' ALA . 4.3 t -125.47 58.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.28 29.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -156.46 -77.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.24 160.94 13.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -120.09 127.76 52.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -106.81 130.74 54.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.783 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.53 142.4 47.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -144.9 126.95 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 21' ' ' LEU . 21.4 t -130.21 103.27 16.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.96 154.94 43.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -134.14 167.89 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -98.11 89.86 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.0 169.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.59 7.09 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -139.91 174.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.74 99.75 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.4 140.4 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 5.9 mmtt -91.06 171.71 9.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.12 28.79 6.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.99 -42.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -63.15 -11.49 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -108.37 166.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 72.8 t -134.7 104.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.689 HG11 ' CG ' ' A' ' 71' ' ' TRP . 46.7 t -120.37 101.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 112.63 24.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.675 HG21 ' CB ' ' A' ' 69' ' ' SER . 83.8 mt -113.2 100.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.521 ' C ' HG12 ' A' ' 66' ' ' VAL . 11.2 mm-40 -101.27 174.74 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.73 -57.16 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -129.72 54.2 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.359 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -173.97 119.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.646 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 83' ' ' LEU . 60.1 tp -108.45 163.03 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 6.2 ttm180 -170.14 127.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 38' ' ' VAL . 53.6 t -141.94 147.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 166.21 172.65 33.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 79.7 mt -95.65 130.78 42.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.0 tttm -40.14 127.48 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.97 -36.95 3.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -80.95 169.03 20.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.97 139.07 23.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.06 108.89 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -54.33 -35.14 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 31.9 t -115.51 142.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 t70 175.53 100.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.75 155.23 13.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 97' ' ' THR . 21.6 tt0 -64.26 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -74.97 145.96 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.619 ' HA ' HG22 ' A' ' 97' ' ' THR . 7.9 t80 -64.54 -8.84 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.6 t30 -167.51 124.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 71.9 mt-10 -34.13 116.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m -103.28 139.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.2 108.03 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.521 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -67.91 -34.05 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -44.67 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -82.48 8.38 11.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.675 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.9 p -89.69 152.79 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -167.45 132.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.689 ' CG ' HG11 ' A' ' 38' ' ' VAL . 30.2 p-90 -123.59 157.48 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.82 161.81 38.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 36' ' ' VAL . 4.0 mt -104.93 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER -68.44 128.37 36.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 48.33 23.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.58 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.04 37.67 7.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.841 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.8 pttp -126.19 -38.16 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.841 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -125.6 150.45 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.92 121.04 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.1 p -107.47 139.03 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HB ' HD12 ' A' ' 21' ' ' LEU . 52.2 t -126.71 140.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.442 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -121.18 95.55 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 45' ' ' LEU . 16.4 mt -87.86 162.0 17.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.0 OUTLIER -137.81 131.35 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 15.1 mttt -79.69 127.32 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.5 mm -55.05 -22.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -137.95 105.56 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.53 60.59 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmm -134.79 -44.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.44 174.76 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 1.2 t-105 -120.12 131.88 55.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' O ' ' CE2' ' A' ' 91' ' ' TRP . 13.6 m0 -76.01 149.07 37.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 9.0 t-20 -100.5 -8.42 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -168.48 -160.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.014 HD13 HG13 ' A' ' 96' ' ' VAL . 3.3 tm? -97.02 -52.05 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.014 HG13 HD13 ' A' ' 95' ' ' LEU . 3.1 m -130.84 140.36 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 61' ' ' TYR . 69.0 p -47.02 -34.03 5.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 p -140.35 130.67 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.27 154.33 42.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -68.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.04 -73.41 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 mt -108.6 159.74 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -113.91 -52.75 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.4 p -125.39 -176.64 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 44.23 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -58.33 177.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.4 mm -98.17 -64.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -76.14 155.84 84.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.44 117.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.85 99.48 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.23 167.41 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.14 152.42 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.14 23.78 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 78.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.2 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.28 175.07 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.1 168.8 10.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.9 p -141.85 102.69 4.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.08 99.46 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -103.15 158.66 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.84 173.26 10.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 167.23 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.41 164.19 24.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 126' ' ' SER . 2.3 p -122.51 -152.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.708 ' N ' HG13 ' A' ' 125' ' ' VAL . 87.3 p 179.4 142.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.64 135.92 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -177.27 3.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.2 p -145.45 163.99 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.13 144.51 38.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -87.42 162.91 17.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.68 -58.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.79 124.25 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -148.64 158.04 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.78 148.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.11 169.09 14.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.5 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -142.73 -46.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HB2' HG22 ' A' ' 23' ' ' VAL . 36.8 p90 -76.79 158.7 30.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.586 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ptp180 -98.47 152.71 19.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.416 ' CZ3' HD21 ' A' ' 19' ' ' LEU . 52.0 p-90 -167.65 149.97 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -138.32 -169.1 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.1 pt20 -179.29 155.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 17' ' ' ALA . 2.8 t -124.52 59.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 40.45 29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -162.58 -69.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -95.22 160.83 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -127.6 138.07 52.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -122.71 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -135.89 144.01 45.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -145.52 130.26 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.8 t -131.91 102.19 14.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.94 149.06 36.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CG ' HD11 ' A' ' 49' ' ' LEU . 16.6 m-85 -130.56 139.06 50.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.92 80.91 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.16 165.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.78 10.67 19.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.74 172.0 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.48 92.62 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 49' ' ' LEU . 8.4 mt -41.9 126.65 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' HG12 ' A' ' 36' ' ' VAL . 17.4 mttt -87.66 167.33 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.92 56.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 3.7 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.88 5.68 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -127.99 166.68 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.3 t -136.8 101.05 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 HG22 ' A' ' 47' ' ' VAL . 54.7 t -119.86 103.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.41 77.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.5 ' CD1' HG13 ' A' ' 81' ' ' VAL . 18.1 mt -68.31 106.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 44' ' ' HIS . 14.9 tt0 -91.87 157.13 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.52 -49.82 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -117.03 31.09 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 1.8 t60 -168.06 160.23 11.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.973 HD21 HG23 ' A' ' 47' ' ' VAL . 2.1 tt -143.69 130.28 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.889 ' N ' HD23 ' A' ' 45' ' ' LEU . 15.1 ttm105 -132.01 105.45 7.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.973 HG23 HD21 ' A' ' 45' ' ' LEU . 37.7 t -125.13 147.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 167.51 -172.85 42.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 31' ' ' LEU . 90.3 mt -106.91 130.1 54.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -39.37 126.39 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -40.3 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.99 169.32 21.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.06 140.52 25.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.07 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 23' ' ' VAL . 23.4 t -54.91 -39.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.5 ' CG1' HD22 ' A' ' 45' ' ' LEU . 6.2 t -107.59 126.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.87 104.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . . . 170.06 142.74 3.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' N ' ' CE1' ' A' ' 44' ' ' HIS . 34.5 tt0 -50.36 122.06 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CG2' ' A' ' 64' ' ' VAL . 42.5 mt -58.38 157.23 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 43.2 t80 -65.53 -36.51 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.03 150.31 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.46 136.06 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.533 ' CG2' HD13 ' A' ' 60' ' ' LEU . 6.6 m -128.86 141.51 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -67.12 93.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.2 m -69.67 -37.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.09 -22.16 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -106.16 -22.56 12.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 m -54.37 147.44 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.4 p -152.09 138.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.605 ' CG ' HG11 ' A' ' 38' ' ' VAL . 51.5 p-90 -125.47 168.56 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -174.89 153.53 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 36' ' ' VAL . 4.2 mt -93.79 106.7 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.09 134.73 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.452 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 0.5 OUTLIER 45.39 25.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.22 51.57 11.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.572 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.3 pttt -144.69 -49.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.572 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.72 148.05 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 73' ' ' ILE . 3.0 t -100.26 127.79 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.6 p -110.93 144.93 39.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 21' ' ' LEU . 79.9 t -132.14 134.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -115.32 104.18 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -90.04 157.87 17.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -131.81 106.37 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 97.5 mttt -56.9 141.68 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -72.47 -48.04 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 88' ' ' LYS . 5.7 m120 -93.97 -19.54 20.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 33.75 56.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.21 33.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.78 130.8 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 28.8 t-105 -63.27 162.01 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 5.5 m0 -122.42 121.2 36.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 38.1 t30 -80.51 -1.74 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 176.99 149.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.16 -51.1 65.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 58' ' ' GLY . 3.6 m -102.64 -121.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 96' ' ' VAL . 35.7 p -157.09 -39.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.22 107.0 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -42.5 145.54 0.82 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -128.53 -43.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 103' ' ' ASN . 67.6 mt 56.97 166.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.512 ' N ' HG22 ' A' ' 102' ' ' ILE . 10.2 t30 -119.08 -48.14 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.4 t -155.87 -164.78 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -119.0 131.67 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.1 OUTLIER -152.96 80.51 1.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -34.61 -85.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -171.98 159.6 4.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.44 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 63.38 110.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.5 90.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.56 168.91 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.66 108.41 8.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m -113.67 79.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 90.2 2.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.6 pp -96.38 152.84 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.81 163.07 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.59 123.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 121' ' ' THR . 1.2 pt-20 -126.7 -145.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.424 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 12.9 t -173.41 166.77 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -157.96 165.36 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.97 170.92 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.42 145.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 126' ' ' SER . 2.4 p -111.41 -147.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.791 ' N ' HG13 ' A' ' 125' ' ' VAL . 1.2 t -179.26 153.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -132.81 97.55 0.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -177.32 3.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.71 165.46 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.3 p -160.73 172.19 17.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -175.75 -58.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 127.2 55.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -76.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.74 131.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.42 115.92 6.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.36 -172.28 22.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.3 Cg_endo -74.94 -163.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -105.52 33.41 3.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 19.8 p90 -156.52 166.13 34.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -102.45 143.34 32.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 95' ' ' LEU . 37.8 p-90 -156.85 156.67 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -147.15 -162.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 19' ' ' LEU . 18.0 pt20 172.32 175.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -142.65 37.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 5.8 mt 63.91 13.88 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -141.64 -61.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -107.22 158.03 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.613 ' CD1' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -124.64 121.07 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.07 139.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.8 tp -142.43 144.42 33.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.82 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.07 123.93 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -121.79 104.83 38.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.07 143.51 28.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.8 m-85 -123.51 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 92.77 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.057 HG21 HD21 ' A' ' 31' ' ' LEU . 2.8 m -140.03 172.37 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 8.63 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -131.69 169.52 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 135.67 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.057 HD21 HG21 ' A' ' 27' ' ' VAL . 1.7 mm? -81.38 121.24 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 36' ' ' VAL . 11.2 mttp -89.36 159.01 17.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.7 -6.67 51.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.49 18.02 15.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.74 8.49 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.19 167.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.549 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 88.7 t -131.71 98.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 71' ' ' TRP . 34.3 t -118.63 99.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.75 111.2 23.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.79 HG22 HG13 ' A' ' 66' ' ' VAL . 56.4 mt -102.29 114.38 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -113.56 -173.77 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.54 -49.12 61.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 3.0 ttt-85 -139.05 52.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -167.14 135.89 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 83' ' ' LEU . 14.6 tp -126.38 135.73 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 2.2 ttt180 -140.37 105.7 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 93.1 t -115.96 155.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.22 165.59 15.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' OE1' ' A' ' 52' ' ' GLN . 12.5 mt -90.8 135.56 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.96 128.48 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.79 -41.78 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.754 ' OE1' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.74 167.88 24.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 144.69 30.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -74.97 112.88 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 t -56.84 -35.64 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG22 ' CE2' ' A' ' 10' ' ' TYR . 46.9 t -112.16 133.81 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -176.43 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.69 161.86 28.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 97' ' ' THR . 42.5 tt0 -78.93 107.54 11.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -43.0 161.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB3' ' A' ' 92' ' ' TRP . 5.3 t80 -80.28 -30.55 38.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.471 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . 24.8 t30 -139.18 135.75 34.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG3' ' CD ' ' A' ' 43' ' ' ARG . 4.5 mp0 -46.06 162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.8 m -148.6 146.24 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -73.91 115.03 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.79 HG13 HG22 ' A' ' 40' ' ' ILE . 1.4 t -71.8 -64.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -41.37 -28.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' VAL . 1.6 mm-40 -106.23 45.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' VAL . 19.1 m -143.3 146.67 33.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.5 p -151.7 177.69 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 38' ' ' VAL . 54.8 p-90 -154.0 157.98 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 163.25 39.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.523 HD11 HG11 ' A' ' 36' ' ' VAL . 4.1 mt -101.65 127.94 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -100.29 136.86 39.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.6 19.05 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 52.22 45.71 57.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.21 -42.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.537 HG23 ' HG3' ' A' ' 77' ' ' LYS . 96.2 t -90.14 138.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.4 109.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.3 p -95.4 144.55 25.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 47' ' ' VAL . 59.4 t -131.01 134.49 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -115.55 111.9 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.857 HD11 HD22 ' A' ' 45' ' ' LEU . 21.2 mt -107.31 144.26 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.64 122.34 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 19' ' ' LEU . 21.8 mttp -63.5 149.95 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.45 -29.12 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.55 -41.48 6.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.661 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 1.9 mtmp? 65.4 42.88 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 26.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.42 128.37 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -99.95 136.85 39.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.613 ' CH2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.77 162.8 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.08 -25.3 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -147.36 122.52 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.72 HD13 ' CE3' ' A' ' 12' ' ' TRP . 8.1 tp -35.11 -62.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -105.16 151.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' GLU . 38.0 p -68.37 -30.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -154.29 134.82 13.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.031 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.52 164.94 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.46 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.4 Cg_endo -74.95 -144.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.46 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 1.4 mt-10 -108.01 -60.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 103' ' ' ASN . 37.6 mt -100.16 162.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.436 ' N ' HG22 ' A' ' 102' ' ' ILE . 1.7 m120 -133.12 -56.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.0 p -119.32 174.06 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 177.68 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -52.0 173.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 107' ' ' ILE . 4.4 mp -61.74 -63.15 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.89 151.5 4.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.87 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -160.4 107.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -172.82 166.65 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.83 118.92 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.93 172.99 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 114' ' ' LEU . 3.9 tp -101.81 17.72 22.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.75 77.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -124.08 87.93 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -103.07 160.38 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -86.25 126.63 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 p -107.16 -26.3 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -131.78 -143.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 t -163.11 169.8 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -87.21 151.07 23.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.58 166.62 24.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.5 mtp -139.22 166.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.0 t -152.03 114.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.4 p -165.83 99.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.39 84.39 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.76 12.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 131.0 49.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.1 p -142.74 170.06 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.68 164.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.77 -50.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.61 -59.43 0.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t 62.05 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -143.73 143.68 31.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.59 -152.26 44.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -75.03 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -101.7 43.14 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 23' ' ' VAL . 12.6 p90 -175.75 155.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -84.35 134.71 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 39.3 p-90 -146.59 136.64 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.049 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' HD23 ' A' ' 19' ' ' LEU . 31.6 p -137.67 -168.1 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 pm0 -179.26 165.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -130.66 55.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 47.47 27.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' CA ' ' HD2' ' A' ' 85' ' ' LYS . . . -166.63 -69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -88.27 152.22 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.19 125.39 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 1.6 m-20 -109.17 132.62 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -137.12 135.26 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -139.29 129.34 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.66 HG11 HG11 ' A' ' 55' ' ' VAL . 12.0 t -132.07 105.01 13.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 147.73 34.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.1 m-30 -124.66 169.27 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.73 90.42 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -134.16 169.79 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 3.54 12.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -131.1 175.96 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.79 106.37 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.71 130.59 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mmmt -104.98 -172.86 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.35 42.4 2.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.49 -42.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.14 35.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.36 166.14 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 54.1 t -138.21 96.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.596 HG11 ' CG ' ' A' ' 71' ' ' TRP . 50.0 t -111.8 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -93.63 110.56 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.795 HG21 ' CB ' ' A' ' 69' ' ' SER . 53.9 mt -102.84 101.65 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -104.67 179.25 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.2 tpp180 -66.51 -49.14 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -134.49 54.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -174.48 137.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 tp -130.84 120.17 23.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.2 ttm180 -122.92 114.39 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 57.4 t -122.56 148.07 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 162.32 155.38 7.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.6 mm? -78.72 133.73 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.9 tttt -39.76 134.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.84 -43.64 2.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -71.33 170.42 11.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.03 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.824 HG13 HG23 ' A' ' 56' ' ' VAL . 9.2 p -78.09 1.3 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.824 HG23 HG13 ' A' ' 55' ' ' VAL . 8.8 t -151.9 134.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' ASP . 29.9 t0 -175.48 125.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.42 155.73 8.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' LEU . 54.4 tt0 -77.82 106.52 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.6 mt -41.62 162.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 69.6 t80 -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -163.63 177.78 8.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.48 153.49 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.0 m -146.88 136.56 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 106.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.431 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.5 m -84.08 -24.82 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.03 -36.18 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.8 -14.94 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.795 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -51.16 157.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -167.12 129.86 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CG ' HG11 ' A' ' 38' ' ' VAL . 47.0 p-90 -126.15 160.38 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -157.56 -179.57 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.659 HG22 ' HA2' ' A' ' 76' ' ' GLY . 23.0 mt -123.24 109.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -72.26 131.51 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.87 22.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.16 56.7 6.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -147.28 -49.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -108.68 141.06 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 73' ' ' ILE . 15.6 t -89.85 115.16 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -101.97 133.03 47.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 21' ' ' LEU . 74.5 t -122.26 144.7 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 18.3 t60 -129.31 113.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.613 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -109.17 149.46 29.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.43 121.4 40.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' HD2' ' CA ' ' A' ' 17' ' ' ALA . 85.4 mttt -60.82 158.31 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.8 -39.04 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -97.28 -35.12 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.55 47.44 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 mmt -115.33 -48.08 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.03 -171.0 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -122.54 127.07 49.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.633 ' CE3' HD11 ' A' ' 19' ' ' LEU . 33.8 m0 -62.63 139.19 58.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.421 ' CB ' ' NH1' ' A' ' 94' ' ' ARG . 1.7 m120 -83.92 -13.5 53.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -162.31 -162.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.835 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -96.55 -50.99 4.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -131.33 138.99 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -51.46 -30.01 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.51 135.86 32.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.74 161.38 74.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -120.68 -87.04 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.39 164.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -111.03 -48.28 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 p -132.44 126.82 33.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -94.56 160.9 14.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 107' ' ' ILE . 12.4 tttm -80.11 82.31 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -37.52 -86.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -172.65 171.87 1.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 57.96 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 174.24 92.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.2 166.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? 54.86 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.3 mt -124.53 103.39 8.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.9 p -67.11 88.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.04 85.92 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -61.47 152.5 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -157.53 163.57 38.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.8 116.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.18 121.27 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 t -162.49 148.14 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -171.42 145.74 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.362 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.57 148.48 17.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.3 ttp -175.15 140.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 125' ' ' VAL . 10.3 p -164.83 119.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.05 135.04 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.88 97.89 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.6 2.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -164.62 169.86 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -155.67 167.76 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 p -172.31 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.43 150.56 39.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 -127.12 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.95 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 132.2 56.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 151.68 21.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -112.38 34.69 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.6 p90 -165.48 155.06 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 21' ' ' LEU . 59.2 mtp85 -83.67 139.33 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.8 p-90 -148.55 137.29 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.613 ' O ' HD23 ' A' ' 19' ' ' LEU . 29.9 p -138.68 -166.43 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -178.86 -166.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 11.9 t -168.48 57.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.52 30.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -151.59 -72.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -115.66 158.84 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -114.01 130.75 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -109.44 131.77 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -132.1 133.9 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -136.29 131.76 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 55' ' ' VAL . 82.0 t -131.93 102.3 14.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.01 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -107.9 144.36 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 9.9 ptt180 -75.12 85.4 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 31' ' ' LEU . 5.2 m -131.16 153.58 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 14.09 22.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -143.5 164.22 30.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 104.53 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 27' ' ' VAL . 12.7 mt -64.38 146.22 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -110.1 169.7 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.12 51.59 3.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.05 -45.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -8.02 50.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -112.52 166.86 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 58.3 t -134.46 101.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 47' ' ' VAL . 38.3 t -117.81 107.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.44 104.9 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 45' ' ' LEU . 71.5 mt -91.73 107.14 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 4.6 tt0 -101.38 151.44 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.645 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -41.1 -48.07 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH1' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -134.34 41.72 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -160.75 143.18 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.993 HD22 HD11 ' A' ' 83' ' ' LEU . 7.5 tp -131.84 117.67 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttm180 -120.96 109.15 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 38' ' ' VAL . 46.3 t -122.29 152.16 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.0 160.17 11.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 31' ' ' LEU . 40.7 mt -81.29 136.65 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.07 134.13 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.47 -43.83 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.33 170.49 14.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.99 155.34 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.96 114.39 4.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 23' ' ' VAL . 4.0 p -73.64 -1.75 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 55' ' ' VAL . 5.7 t -145.97 128.92 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -169.86 128.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.1 154.05 6.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 97' ' ' THR . 38.5 tt0 -72.09 116.36 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 64' ' ' VAL . 43.9 mt -51.11 166.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 32.8 t80 -61.14 -36.01 78.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -164.65 171.12 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 43' ' ' ARG . 72.7 mt-10 -54.79 139.39 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -135.54 135.54 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.1 tttt -60.45 91.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -71.57 -31.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.25 -23.79 62.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -105.84 -9.8 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.5 m -71.63 137.32 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 p -139.73 132.95 29.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.617 ' CG ' HG11 ' A' ' 38' ' ' VAL . 40.1 p-90 -119.0 160.68 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.43 167.82 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 79' ' ' VAL . 16.1 mt -108.37 110.47 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.35 143.38 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER 40.41 29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 37.05 51.64 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.832 ' HG3' HG13 ' A' ' 78' ' ' VAL . 6.9 pttt -143.47 -45.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.832 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.66 148.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 73' ' ' ILE . 5.4 t -99.39 119.9 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -103.77 136.87 42.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.585 HG22 ' HB2' ' A' ' 71' ' ' TRP . 73.3 t -128.34 122.73 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 63.3 t60 -104.24 112.28 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.63 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.993 HD11 HD22 ' A' ' 45' ' ' LEU . 22.0 mt -99.47 156.69 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -133.25 112.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HG12 ' A' ' 64' ' ' VAL . 29.0 mttt -61.89 156.18 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 mm -80.66 -32.75 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.07 -43.21 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm 63.57 44.18 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.8 OUTLIER -165.46 31.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 3.4 tp10 -129.07 142.38 50.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 45.4 t-105 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 18.7 m0 -91.94 151.99 20.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.59 4.55 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' NH1' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -172.03 132.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.894 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.92 -51.96 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.894 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -127.8 148.41 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 59' ' ' GLU . 19.0 p -76.33 -34.41 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 p -119.27 107.27 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -48.88 157.98 0.71 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -84.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -127.21 -79.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 103' ' ' ASN . 38.6 mt -84.48 165.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.832 ' O ' HD11 ' A' ' 107' ' ' ILE . 2.2 t-20 -169.89 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 103' ' ' ASN . 9.9 t 47.94 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -97.44 129.34 44.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.1 tptt 62.63 137.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.832 HD11 ' O ' ' A' ' 103' ' ' ASN . 7.8 mm -125.25 -67.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -148.84 140.16 14.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 39.37 42.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.27 83.96 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -149.32 67.26 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -160.93 150.17 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mt -112.13 24.05 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.2 p -115.13 82.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.53 85.5 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.642 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -108.43 141.61 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.15 125.41 31.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.5 p -152.03 109.58 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -175.99 127.03 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.1 m -160.5 159.12 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 178.48 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.54 166.58 8.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 152.6 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.6 p -152.61 111.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.2 p 47.08 -151.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.83 97.85 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.97 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.546 1.814 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 75.4 p -179.77 124.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.39 165.23 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -163.67 98.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -177.84 147.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 146.79 4.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -50.75 157.79 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -178.0 170.25 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 173.0 45.61 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -163.26 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.96 31.41 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 21.4 p90 -153.02 169.75 22.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.626 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -108.41 147.18 31.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 19.4 p-90 -152.47 132.98 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 p -126.11 -167.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -179.93 172.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 15' ' ' THR . 6.1 t -136.79 37.44 2.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.9 12.7 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.935 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -146.5 -68.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -93.0 161.18 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -126.07 132.29 51.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -115.44 148.55 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 56' ' ' VAL . 13.3 tp -149.7 146.08 27.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.55 117.32 8.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 25' ' ' PHE . 47.8 t -118.36 104.62 47.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 153.89 41.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 19.8 m-85 -136.18 152.78 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.12 94.11 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG21 ' HG ' ' A' ' 31' ' ' LEU . 5.0 m -137.88 154.33 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -0.65 38.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -122.68 166.97 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.24 99.79 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 27' ' ' VAL . 14.3 mt -54.11 131.36 40.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.4 mttt -100.51 167.34 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.8 7.72 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -103.22 -19.66 14.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 17.9 22.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 32' ' ' LYS . 43.3 t -117.8 170.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.552 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.2 t -144.63 102.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG11 ' CD1' ' A' ' 71' ' ' TRP . 3.3 t -119.24 98.52 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.99 93.06 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.837 HG21 ' HB3' ' A' ' 69' ' ' SER . 81.2 mt -102.17 92.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.576 ' C ' HG12 ' A' ' 66' ' ' VAL . 43.7 mm-40 -93.24 175.62 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.08 -58.56 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HG2' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -128.9 54.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -173.44 113.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.622 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 46' ' ' ARG . 57.1 tp -101.78 160.3 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.572 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -171.57 121.79 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 81' ' ' VAL . 53.2 t -133.98 150.9 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.64 162.66 12.74 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -85.61 136.27 33.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 130.24 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.07 -42.7 3.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -71.13 167.21 31.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.98 138.64 23.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -74.98 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 t -56.42 -32.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.647 HG21 HD21 ' A' ' 21' ' ' LEU . 46.0 t -118.07 143.13 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t0 176.79 106.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.19 164.67 28.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 97' ' ' THR . 22.7 tt0 -71.08 144.18 50.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -80.51 137.15 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.64 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . 19.6 t80 -51.96 -21.11 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.7 t-20 -160.69 129.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 46.3 mt-10 -33.33 115.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 60' ' ' LEU . 4.5 m -103.27 130.2 53.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -62.56 106.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.5 m -65.48 -28.55 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -39.93 92.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.55 -2.88 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 40' ' ' ILE . 58.5 m -79.6 144.71 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.28 167.12 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.654 ' CD1' HG11 ' A' ' 38' ' ' VAL . 38.4 p-90 -162.71 161.45 26.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.77 157.17 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 36' ' ' VAL . 54.3 mt -97.1 112.86 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -89.91 147.3 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.18 23.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.19 33.6 30.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -154.67 -47.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.1 t -75.95 147.39 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.414 HG21 ' HE2' ' A' ' 25' ' ' PHE . 4.7 t -120.22 117.12 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 3.5 p -106.67 140.26 39.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 47' ' ' VAL . 58.3 t -128.76 139.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' SER . 3.8 t-80 -126.09 103.23 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.497 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -94.13 172.39 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.7 123.18 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 34.1 mttt -65.77 160.55 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -89.69 -19.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.81 -55.02 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.935 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 5.5 mtmt 65.39 72.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.55 -42.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 163.09 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -106.69 119.68 39.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD11 ' A' ' 19' ' ' LEU . 21.3 m0 -71.44 154.02 41.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.023 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.58 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m-20 -112.48 -11.61 13.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.64 ' CZ ' ' HB2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -152.61 177.32 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.844 HD13 HG13 ' A' ' 96' ' ' VAL . 1.7 tm? -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.844 HG13 HD13 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -127.45 127.49 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 61' ' ' TYR . 43.5 p -37.86 -36.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -127.26 119.02 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.03 159.86 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -72.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.83 -75.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 103' ' ' ASN . 27.0 mt -85.75 162.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.43 ' N ' HG22 ' A' ' 102' ' ' ILE . 4.5 t30 -146.87 -52.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 57.3 p -105.58 116.01 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -116.34 147.42 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt 61.31 148.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 16.1 mm -84.05 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -93.91 152.14 40.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -48.69 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -135.74 91.03 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -124.62 98.91 5.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.7 p -142.02 170.33 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.57 176.78 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.1 mt -111.22 89.8 3.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.3 p -116.18 79.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.31 89.81 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.53 155.3 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 t0 179.84 166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 m -126.89 -141.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -123.74 -147.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 p -131.54 175.99 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 158.03 37.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.17 167.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.5 171.99 7.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.4 p -154.14 115.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.6 p -97.67 155.26 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -114.97 119.61 4.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.16 7.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.33 172.46 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.73 171.75 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -137.69 -58.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -175.66 158.41 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.03 -138.76 5.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -131.33 117.91 19.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.053 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.4 175.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.05 -173.56 42.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.02 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.1 17.3 24.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 30.8 p90 -142.02 166.98 23.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.543 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.0 ptp180 -110.49 152.76 25.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 37.8 p-90 -163.2 157.34 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.3 p -149.14 -170.96 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -179.24 152.27 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' THR . 6.0 t -121.81 42.14 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 61.89 17.21 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.67 -74.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 159.26 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -122.87 129.14 51.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -106.44 144.82 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.656 HD12 ' H ' ' A' ' 22' ' ' ALA . 13.1 tp -151.71 141.46 21.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.656 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.71 126.84 15.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HB ' ' A' ' 55' ' ' VAL . 11.1 t -126.31 104.46 25.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -74.98 151.7 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CG ' HD11 ' A' ' 49' ' ' LEU . 23.5 m-85 -134.56 152.95 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 86.21 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -129.62 163.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 5.35 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -126.45 175.59 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 6.5 mtt180 -96.25 99.58 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HB2' HG21 ' A' ' 73' ' ' ILE . 1.7 mt -47.52 143.99 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -100.19 -47.87 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 36' ' ' VAL . . . 138.52 -14.19 3.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -94.97 -2.03 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.23 5.81 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -122.18 165.35 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 48' ' ' GLY . 1.9 m -128.63 114.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.681 HG13 HG22 ' A' ' 47' ' ' VAL . 71.3 t -134.89 92.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 45' ' ' LEU . 6.9 t0 -90.01 120.88 31.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 81' ' ' VAL . 47.6 mt -113.22 91.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -101.01 161.27 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' HG11 ' A' ' 66' ' ' VAL . 1.2 tpt180 -46.37 -62.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.56 47.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -165.7 130.67 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 39' ' ' ASP . 14.6 tp -129.64 113.61 14.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 19.8 ttm180 -118.89 97.22 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.681 HG22 HG13 ' A' ' 38' ' ' VAL . 53.4 t -112.43 115.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.559 ' CA ' ' HA ' ' A' ' 54' ' ' PRO . . . -153.63 -177.89 27.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 25' ' ' PHE . 12.5 mt -109.25 129.0 55.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -41.62 122.9 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.06 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 1.1 mp0 -81.63 165.78 41.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 141.43 26.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.01 144.64 30.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HB ' HG11 ' A' ' 23' ' ' VAL . 12.1 t -85.67 -33.72 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 5.4 t -112.56 125.7 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -165.66 85.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.7 159.47 32.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.41 121.46 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.31 163.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.522 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 71.6 t80 -71.94 -36.9 70.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -153.55 142.9 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.04 148.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.11 135.09 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 7.9 tttt -59.94 97.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -71.11 -31.19 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.85 -20.23 63.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -114.75 5.34 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 40' ' ' ILE . 33.4 m -84.69 155.64 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' HIS . 89.1 p -163.85 147.07 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.647 ' CG ' HG11 ' A' ' 38' ' ' VAL . 44.5 p-90 -131.21 158.74 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.11 174.23 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 31' ' ' LEU . 2.9 mt -113.84 117.57 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -85.98 136.88 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 2.5 m-20 45.74 25.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.73 44.52 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.781 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -136.65 -44.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.781 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -115.74 145.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.429 HG13 ' CE3' ' A' ' 71' ' ' TRP . 32.3 t -95.06 124.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.76 140.84 41.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' ILE . 24.8 t -123.77 143.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' SER . 58.6 t-80 -126.27 107.37 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 164.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -136.15 107.52 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -52.99 153.14 3.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mm -78.5 -37.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -92.67 -39.42 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt 64.17 42.07 5.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.11 70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.1 tp10 178.55 136.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 65.8 t-105 -88.39 118.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 31.2 m0 -67.41 160.79 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.439 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.6 m-20 -114.01 -12.63 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.736 ' HE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -176.09 121.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 ' CE3' ' A' ' 12' ' ' TRP . 13.7 tp -39.64 -55.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 m -120.61 147.76 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.736 HG22 ' HE ' ' A' ' 94' ' ' ARG . 40.5 p -78.28 -29.01 47.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' ASP . 30.8 p -125.99 105.54 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' SER . 1.5 p30 -40.21 156.3 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -73.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -118.64 -72.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 103' ' ' ASN . 1.5 mt -85.45 168.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' N ' HG22 ' A' ' 102' ' ' ILE . 5.6 t-20 -118.02 -61.08 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 p -124.66 114.19 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -127.73 84.66 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 178.76 155.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.54 -55.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -87.43 157.56 52.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 65.11 116.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.252 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.98 140.51 45.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.2 p -96.74 171.04 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.59 176.59 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mp -121.07 105.43 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 82.84 1.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.93 88.84 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tp -110.93 121.61 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.34 149.33 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 t -168.86 117.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' THR . 3.4 pt-20 -133.03 -148.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 8.9 t -168.54 166.59 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 170.31 12.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.74 170.7 21.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.2 ttp -168.77 139.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.779 HG13 ' N ' ' A' ' 126' ' ' SER . 2.4 p -102.86 -148.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.779 ' N ' HG13 ' A' ' 125' ' ' VAL . 1.1 m 175.02 157.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.4 130.18 3.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.48 9.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.4 p -146.21 172.24 13.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.08 170.68 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -156.29 170.31 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.56 166.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.65 175.0 28.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -105.37 174.81 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.41 170.78 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.78 -138.23 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -158.9 -45.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 20.1 p90 -133.19 162.29 32.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.598 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -116.5 149.23 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 37.2 p-90 -151.45 137.46 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 p -136.94 -165.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' NE2' ' CH2' ' A' ' 91' ' ' TRP . 11.8 pm0 179.98 -178.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' THR . 4.8 t -143.13 33.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 2.9 mt 66.64 10.59 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . . . -141.24 -65.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -118.31 132.6 56.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -114.81 130.32 56.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.77 HD11 HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -132.78 144.01 49.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.765 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.7 123.97 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.77 HG23 HD11 ' A' ' 21' ' ' LEU . 11.8 t -125.72 103.38 28.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.5 Cg_endo -75.0 160.13 40.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD2' HD11 ' A' ' 49' ' ' LEU . 27.9 m-85 -142.61 148.82 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 86.52 5.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.63 159.7 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 9.02 40.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -141.16 168.41 19.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 1.2 mtt180 -79.4 111.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD13 ' HD2' ' A' ' 25' ' ' PHE . 12.4 mt -59.61 129.31 41.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -107.62 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 22.52 14.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 1.26 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -142.33 39.76 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 32' ' ' LYS . 30.6 t -130.68 171.16 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.546 ' N ' HG12 ' A' ' 36' ' ' VAL . 25.4 t -144.9 113.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG11 ' CD1' ' A' ' 71' ' ' TRP . 24.8 t -141.45 104.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.24 100.38 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.859 HG22 HG13 ' A' ' 66' ' ' VAL . 89.4 mt -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.483 ' C ' HG22 ' A' ' 66' ' ' VAL . 9.2 mm100 -121.66 -173.52 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -126.09 46.69 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -159.22 121.42 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . 39.3 tp -110.33 148.43 31.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' H ' HD12 ' A' ' 45' ' ' LEU . 2.7 ttm180 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 81' ' ' VAL . 76.3 t -132.41 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 159.53 179.01 34.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 25' ' ' PHE . 69.8 mt -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 3.4 mttt -40.83 128.19 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.99 -41.4 3.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 168.58 26.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 143.64 29.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.05 107.72 2.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 23' ' ' VAL . 10.6 t -53.76 -35.33 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.9 t -117.74 137.28 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -176.47 90.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.18 166.14 38.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.897 ' OE1' HG21 ' A' ' 97' ' ' THR . 8.5 tt0 -75.12 144.36 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 0.813 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -78.65 148.11 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 5.6 t80 -66.18 -8.18 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.434 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.5 t-20 -166.0 125.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' ASN . 38.4 mt-10 -36.07 116.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' LEU . 11.4 m -100.52 136.91 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' GLU . 20.9 tttt -67.87 113.82 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 40' ' ' ILE . 1.6 t -67.72 -63.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.33 -29.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.4 mm-40 -104.89 44.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.8 m -147.2 151.12 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 p -158.29 -168.26 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.905 ' CD1' HG11 ' A' ' 38' ' ' VAL . 66.3 p-90 -163.6 156.88 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.0 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.14 176.66 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.616 HG22 ' HA2' ' A' ' 76' ' ' GLY . 13.6 mt -116.87 117.01 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -86.63 128.83 35.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 51.1 m-20 53.77 20.4 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.49 40.21 11.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.8 pttt -133.5 -45.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -114.43 143.28 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 19.2 t -93.11 134.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -119.19 138.93 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 47' ' ' VAL . 93.2 t -124.01 139.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -117.73 104.36 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.547 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -100.33 159.27 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -136.31 134.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 40.7 mttt -79.46 131.08 35.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mm -43.63 -27.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 85' ' ' LYS . 4.3 m-80 -147.11 149.32 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 3.3 ttpt -107.81 73.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.86 24.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.4 OUTLIER -150.52 137.74 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.473 ' CH2' ' NE2' ' A' ' 14' ' ' GLN . 39.7 t-105 -94.31 149.3 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 85' ' ' LYS . 18.3 m0 -95.47 157.62 15.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 33.5 t-20 -115.7 -10.9 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -167.44 138.48 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' VAL . 2.2 tm? -39.11 -61.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -126.27 151.97 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.897 HG21 ' OE1' ' A' ' 59' ' ' GLU . 41.0 p -57.21 -39.68 75.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.7 p -130.65 105.95 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.2 142.77 75.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' OE2' ' CE1' ' A' ' 10' ' ' TYR . 15.0 pt-20 -71.4 -26.83 62.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 103' ' ' ASN . 31.8 mt 56.89 164.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -171.02 33.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 102' ' ' ILE . 20.6 p -38.4 122.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -176.28 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.42 161.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.405 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.5 mp -42.55 -66.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -169.55 150.86 4.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.42 65.85 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -101.95 91.57 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.73 140.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 173.41 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.54 76.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.98 77.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.52 89.8 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.93 173.8 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -169.91 152.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 p -126.79 -42.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 69.26 126.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 m -115.79 162.33 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.79 154.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.1 m -137.61 169.63 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.56 143.47 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.655 HG23 ' N ' ' A' ' 126' ' ' SER . 11.5 m -109.99 -141.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.655 ' N ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER 172.83 174.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -141.47 142.08 11.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -175.66 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 p -152.23 165.61 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.05 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -169.17 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.85 125.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.07 -172.22 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -152.5 137.17 16.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -105.15 163.92 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.83 -163.17 33.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -174.02 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.595 ' O ' HD22 ' A' ' 21' ' ' LEU . 14.8 ptp180 -92.92 153.65 18.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 41.4 p-90 -158.33 133.26 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' HD23 ' A' ' 19' ' ' LEU . 11.3 p -132.66 -168.64 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.54 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.5 pt20 176.2 -174.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' THR . 9.5 t -154.06 57.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 45.78 28.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.62 -86.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -93.02 156.73 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -112.31 129.85 56.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -110.37 131.47 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -133.17 143.79 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -140.95 132.1 26.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 21' ' ' LEU . 59.6 t -131.84 105.87 14.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.422 ' CA ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.99 154.77 42.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 49' ' ' LEU . 14.2 m-85 -137.56 161.24 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 92.0 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.901 HG21 HD21 ' A' ' 31' ' ' LEU . 2.6 m -138.07 165.35 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.89 3.27 30.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 27' ' ' VAL . 4.2 p90 -122.17 164.42 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 105.64 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.901 HD21 HG21 ' A' ' 27' ' ' VAL . 2.9 mm? -48.4 123.71 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.777 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -100.71 160.7 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.4 51.62 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -45.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -84.93 7.58 20.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 32' ' ' LYS . 21.7 t -98.47 166.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 36' ' ' VAL . 54.4 t -146.5 102.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.909 HG11 ' CD1' ' A' ' 71' ' ' TRP . 13.4 t -125.38 100.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -97.55 92.41 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.733 HG21 ' CB ' ' A' ' 69' ' ' SER . 88.1 mt -94.33 101.48 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' C ' HG11 ' A' ' 66' ' ' VAL . 37.3 mm-40 -101.64 177.59 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -58.97 -54.3 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.09 55.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -178.58 132.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.493 HD23 HG11 ' A' ' 56' ' ' VAL . 45.6 tp -116.46 165.2 13.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -169.54 102.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 81' ' ' VAL . 88.1 t -117.49 147.55 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 162.25 166.8 21.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.944 HD21 ' CE2' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -86.79 133.33 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -40.11 130.64 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.33 -41.87 3.04 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -73.13 167.55 33.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.764 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 139.36 24.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.01 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 ' HE1' ' A' ' 25' ' ' PHE . 12.1 t -54.6 -31.5 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HD23 ' A' ' 45' ' ' LEU . 48.3 t -114.29 139.83 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.75 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.833 ' HA3' HG21 ' A' ' 96' ' ' VAL . . . -150.26 164.25 29.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.724 ' C ' HG23 ' A' ' 96' ' ' VAL . 37.6 tt0 -83.51 98.14 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 64' ' ' VAL . 95.6 mt -41.52 160.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' ' NH2' ' A' ' 94' ' ' ARG . 2.4 t80 -62.73 -41.15 99.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.48 175.93 11.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -60.51 147.08 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CD1' ' A' ' 60' ' ' LEU . 4.9 m -137.14 127.62 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -52.51 103.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG11 ' C ' ' A' ' 41' ' ' GLN . 3.2 m -76.94 -35.98 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -27.59 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.79 -18.24 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.733 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.1 m -63.15 138.44 58.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -144.79 147.17 32.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.909 ' CD1' HG11 ' A' ' 38' ' ' VAL . 63.0 p-90 -134.22 157.71 45.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.4 175.85 13.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.606 HG22 ' HA2' ' A' ' 76' ' ' GLY . 3.5 mt -111.13 121.75 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -84.67 134.71 34.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 43.65 27.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.606 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 45.91 51.02 11.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.557 ' CE ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -157.32 -40.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.557 HG23 ' CE ' ' A' ' 77' ' ' LYS . 43.8 t -102.41 141.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.5 HG11 ' CG1' ' A' ' 47' ' ' VAL . 9.2 t -101.1 119.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.52 139.27 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 47' ' ' VAL . 75.8 t -126.08 114.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.406 ' CE1' ' CD ' ' A' ' 18' ' ' GLU . 47.3 t60 -99.44 93.3 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.55 -173.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -162.07 121.53 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 90' ' ' GLU . 96.2 mttt -71.12 131.96 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 mm -39.85 -50.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' LYS . 29.3 m-20 -155.92 58.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 37.72 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.4 mmt -56.3 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 1.6 pt-20 -162.4 -174.55 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 16' ' ' LEU . 12.1 t-105 -79.56 82.77 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.064 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CE3' HD11 ' A' ' 19' ' ' LEU . 34.0 m0 -42.22 150.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.541 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.1 m-80 -113.05 -2.33 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.698 ' HE ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.76 156.14 31.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 95' ' ' LEU . 2.4 tm? -67.8 -49.2 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.833 HG21 ' HA3' ' A' ' 58' ' ' GLY . 13.2 p -138.78 150.84 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.592 ' N ' ' NH1' ' A' ' 94' ' ' ARG . 44.7 p -49.72 -29.55 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.89 147.61 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.82 158.72 72.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' ILE . 5.8 mt-10 -142.01 -64.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 103' ' ' ASN . 54.8 mt 56.47 163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -169.83 32.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.4 p -113.53 134.82 54.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt 53.97 174.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -171.49 3.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 107' ' ' ILE . 4.0 mp -49.08 -63.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -80.42 141.88 53.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -55.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 65.29 106.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 176.68 158.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.61 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -100.35 120.32 39.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mt -117.68 92.09 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.08 -58.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.22 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.82 170.21 10.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -118.64 171.86 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 m -126.33 -141.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.39 87.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.6 t -150.04 151.05 32.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.61 149.56 11.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.42 161.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.59 80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.4 p -168.81 123.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.4 t -174.54 135.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -174.62 84.59 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.8 p -130.11 156.21 44.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.6 t 175.76 143.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -79.36 91.8 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -51.1 167.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.69 168.9 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 p -129.51 116.72 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -40.64 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.07 -169.01 12.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -75.03 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.77 22.54 10.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 25.0 p90 -147.04 163.3 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -95.86 141.03 29.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 36.1 p-90 -153.62 140.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 19' ' ' LEU . 82.7 p -133.46 -165.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 13' ' ' THR . 13.5 pm0 -177.3 149.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' THR . 10.0 t -126.57 59.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.97 29.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -165.83 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 1.5 mt-10 -83.11 155.14 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.99 127.97 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -104.07 143.46 32.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 56' ' ' VAL . 16.4 tp -150.39 143.19 24.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.94 124.26 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 HG11 ' A' ' 55' ' ' VAL . 48.7 t -123.41 102.4 36.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.0 150.68 38.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CG ' HD11 ' A' ' 49' ' ' LEU . 61.2 m-85 -134.04 134.76 42.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.6 mtp-105 -70.58 84.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' PHE . 4.2 m -130.0 155.77 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.75 10.96 28.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -143.67 164.99 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CG ' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -75.3 98.87 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 8.8 mt -49.43 127.44 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.915 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.9 mmmt -85.54 165.33 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -11.85 85.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 13.88 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.15 16.79 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 32' ' ' LYS . 38.3 t -121.49 167.12 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.598 HG13 ' C ' ' A' ' 48' ' ' GLY . 0.8 OUTLIER -141.8 118.57 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.707 HG22 HG13 ' A' ' 47' ' ' VAL . 30.9 t -140.51 92.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 46' ' ' ARG . 5.2 t70 -93.98 87.32 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.644 HG21 ' CB ' ' A' ' 69' ' ' SER . 66.5 mt -87.26 91.19 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 15.4 mm-40 -92.49 172.61 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.68 41.22 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 2.2 t-80 -171.96 144.86 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.005 ' CD2' HG23 ' A' ' 47' ' ' VAL . 1.7 tt -138.51 119.59 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 20.3 ttm180 -124.23 89.75 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.005 HG23 ' CD2' ' A' ' 45' ' ' LEU . 55.6 t -109.1 124.42 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.598 ' C ' HG13 ' A' ' 37' ' ' VAL . . . -161.5 -158.44 9.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' CG ' ' A' ' 25' ' ' PHE . 41.9 mt -124.63 127.99 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 1.3 mttm -43.42 117.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.21 -36.3 3.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.65 169.0 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.01 145.11 31.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.2 Cg_endo -75.06 126.37 9.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.699 HG11 HG13 ' A' ' 23' ' ' VAL . 7.3 t -72.2 -38.75 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 21' ' ' LEU . 12.7 t -109.26 125.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.24 123.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.9 158.17 8.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.82 114.82 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 64' ' ' VAL . 44.7 mt -49.41 164.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.515 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 5.3 t80 -63.25 -35.8 81.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 14.5 t-20 -161.3 161.54 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 69.7 mt-10 -50.93 142.15 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 4.4 m -138.28 138.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -60.03 101.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 42' ' ' ARG . 3.8 m -75.16 -37.49 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.94 -15.62 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -106.34 -11.31 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.644 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.24 171.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.0 p -178.24 133.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.563 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -129.91 159.31 37.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.45 150.63 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.639 HG22 ' HA2' ' A' ' 76' ' ' GLY . 5.6 mt -91.69 106.79 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -75.45 131.51 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.49 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 7.1 m-20 44.37 27.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.639 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.22 35.47 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.863 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.2 pttt -125.76 -39.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.863 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -126.99 151.66 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.48 128.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.5 p -106.87 145.38 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 47' ' ' VAL . 46.4 t -131.38 143.23 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' GLU . 11.2 t60 -127.24 108.44 10.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.1 156.27 17.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -126.34 123.03 37.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 64' ' ' VAL . 73.5 mttt -71.47 150.07 45.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -82.03 -41.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 88' ' ' LYS . 15.5 p30 -97.06 -27.29 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 5.5 ptpt 38.67 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -163.38 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.75 138.03 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -82.3 134.23 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.015 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.515 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 19.5 m0 -90.17 141.27 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.2 4.39 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.65 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.82 131.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.863 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.07 -52.23 52.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 95' ' ' LEU . 9.9 m -124.87 155.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.65 HG22 ' NE ' ' A' ' 94' ' ' ARG . 75.4 p -85.9 -30.88 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.7 p -116.96 93.44 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.38 166.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.5 Cg_endo -74.94 -143.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 10.2 pt-20 -109.31 -39.33 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 141.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . 3.3 p30 -92.54 -38.53 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' ASN . 6.2 p 41.59 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 130.09 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.1 OUTLIER -135.78 72.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.546 HD12 ' H ' ' A' ' 108' ' ' ASN . 0.7 OUTLIER -35.03 -73.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.546 ' H ' HD12 ' A' ' 107' ' ' ILE . 1.8 m-20 -143.51 162.25 42.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.51 -136.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.19 89.55 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.64 152.6 47.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.69 172.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.46 109.54 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 m -107.64 95.63 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -151.39 81.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.71 132.62 40.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 119' ' ' SER . 14.4 m-20 -62.23 145.71 52.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.589 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 3.2 t 160.82 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.589 ' CG ' ' O ' ' A' ' 119' ' ' SER . 1.4 pt-20 56.32 145.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.8 t -158.57 147.46 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.83 102.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.6 167.31 18.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.23 153.0 51.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 37.9 t -127.73 100.44 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.244 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.2 p -118.87 153.23 34.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -146.01 116.18 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -177.35 3.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.53 178.53 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m 60.1 156.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.7 86.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 139.89 53.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.84 144.97 11.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.36 111.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.01 174.28 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.07 152.62 17.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -162.28 -44.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.733 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.2 p90 -128.02 155.62 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.2 mtt-85 -100.73 146.77 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 50.9 p-90 -153.69 146.39 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 19' ' ' LEU . 44.6 p -141.48 -172.1 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.0 pt20 -178.94 155.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' THR . 14.9 t -121.75 38.53 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt 64.12 14.52 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 88' ' ' LYS . . . -141.55 -67.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -103.34 156.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -118.04 119.09 33.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -98.08 141.51 30.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.3 tp -139.07 141.8 38.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.54 121.32 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 55' ' ' VAL . 57.4 t -124.93 103.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 138.59 23.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -119.45 145.99 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -86.49 84.85 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.89 161.7 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 13.21 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.68 164.77 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 100.59 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' CD2' ' A' ' 49' ' ' LEU . 14.5 mt -54.18 136.04 43.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 mmtt -109.08 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.81 11.51 61.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 5.96 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -140.37 33.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 73' ' ' ILE . 23.1 t -128.66 170.39 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.536 ' N ' HG12 ' A' ' 36' ' ' VAL . 24.6 t -144.51 101.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 4.5 t -127.65 105.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -97.74 98.14 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.784 HG22 HG13 ' A' ' 66' ' ' VAL . 50.6 mt -89.86 113.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -115.77 -173.14 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.531 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -78.39 -38.94 40.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.88 56.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -177.14 140.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.018 HD22 HD11 ' A' ' 83' ' ' LEU . 5.6 tp -129.5 121.19 26.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttp180 -124.04 113.79 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 49.1 t -124.26 153.94 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.25 159.58 10.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' CD2' HD22 ' A' ' 31' ' ' LEU . 32.9 mt -82.95 137.67 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 132.89 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.37 -42.72 2.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.82 170.64 14.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.07 118.02 5.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 23' ' ' VAL . 4.3 p -77.83 2.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.77 HG23 HG13 ' A' ' 55' ' ' VAL . 8.1 t -150.99 130.55 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -171.6 112.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.06 155.48 12.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 97' ' ' THR . 34.5 tt0 -73.94 110.56 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 48.0 mt -43.53 163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 78.6 t80 -68.94 -31.5 70.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -153.22 163.82 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.33 158.76 6.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 42' ' ' ARG . 18.0 m -150.84 145.97 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.0 tttm -70.93 116.56 11.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.784 HG13 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -77.09 -64.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -41.92 -27.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.1 mm-40 -105.97 44.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.7 m -143.06 160.95 39.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -162.28 -176.82 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.659 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 65.1 p-90 -156.94 161.62 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.056 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -161.73 177.39 9.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 36' ' ' VAL . 20.5 mt -115.56 121.68 67.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -87.69 134.31 33.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 47.62 23.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.46 57.86 4.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -153.53 -42.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -115.89 144.79 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.15 130.9 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -116.31 140.8 48.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 40' ' ' ILE . 60.9 t -128.48 148.45 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -122.31 107.59 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.614 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD22 ' A' ' 45' ' ' LEU . 20.2 mt -102.72 141.44 35.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -116.56 120.4 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.97 156.05 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 mm -85.99 -47.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -93.45 -24.79 17.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 6.3 ptmt 40.57 75.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.3 tt0 -85.59 136.78 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 3.1 t-105 -86.17 134.24 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 22.8 m0 -80.16 153.17 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.33 -16.87 15.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.14 130.8 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.662 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -41.08 -57.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -123.56 146.42 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' GLU . 33.1 p -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -125.82 108.93 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 160.34 56.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.453 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.2 Cg_endo -75.03 -143.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 3.0 mt-10 -130.37 -81.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.24 160.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.12 -44.44 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.1 t -170.36 -169.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -144.87 -175.36 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -83.37 77.65 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -36.33 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.14 155.94 0.83 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -141.6 93.18 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -107.59 -35.76 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 m 54.83 168.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -145.49 149.25 34.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -131.4 91.26 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.91 77.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -129.65 87.06 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.4 -179.51 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -46.21 119.7 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 p -127.87 -143.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.82 -151.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.2 t -117.44 158.15 24.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 0.0 110.452 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.71 169.12 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.7 p -146.46 169.37 19.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.87 -172.4 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.8 p -166.63 106.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 60.0 p -134.35 127.04 30.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.98 119.19 2.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.5 p -133.51 163.1 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -137.17 171.34 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.78 162.15 11.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.99 164.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.83 -156.31 20.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -149.12 97.44 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m 179.78 148.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 -142.42 15.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 52.0 m-20 -140.41 -46.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 24.4 p90 -147.1 160.75 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.739 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.81 151.63 21.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 95' ' ' LEU . 28.2 p-90 -159.38 131.67 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 107.973 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.745 ' O ' HD23 ' A' ' 19' ' ' LEU . 34.0 p -130.07 -165.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -178.84 169.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.761 HG22 ' HG3' ' A' ' 18' ' ' GLU . 14.3 t -139.76 60.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.93 30.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' LYS . . . -166.09 -83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.761 ' HG3' HG22 ' A' ' 15' ' ' THR . 0.1 OUTLIER -82.54 155.82 24.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.65 128.49 51.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.49 145.43 34.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.744 HD23 ' HB ' ' A' ' 81' ' ' VAL . 6.8 tp -149.9 146.31 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.64 118.4 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 55' ' ' VAL . 55.4 t -112.35 100.07 48.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 122.32 7.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 12.9 m-85 -109.33 137.92 46.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 83.73 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 31' ' ' LEU . 2.9 m -125.71 154.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 11.05 37.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -139.29 166.61 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 111.99 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.896 ' O ' HD13 ' A' ' 73' ' ' ILE . 11.0 mt -70.2 114.09 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -86.2 159.08 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 51.01 2.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -143.69 -44.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.9 15.74 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 32' ' ' LYS . 15.2 t -111.39 168.56 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -145.31 121.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 47' ' ' VAL . 47.6 t -147.32 92.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.93 99.79 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.628 HG21 ' CB ' ' A' ' 69' ' ' SER . 33.5 mt -90.88 92.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -96.59 170.55 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -45.89 -55.76 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.3 51.25 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -159.9 133.21 6.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 tp -128.34 111.09 12.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.6 ttm180 -116.79 117.76 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 38' ' ' VAL . 40.9 t -135.15 123.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -161.19 89.2 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.7 mt -19.06 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -40.84 121.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.71 -35.73 4.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.94 168.67 16.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.321 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 150.7 38.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.614 HG13 HG23 ' A' ' 56' ' ' VAL . 3.7 p -73.42 -5.56 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 55' ' ' VAL . 4.0 t -139.39 115.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -160.57 94.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 96' ' ' VAL . . . -168.61 147.74 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -65.28 119.81 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 45.0 mt -52.06 162.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CE2' ' ND2' ' A' ' 62' ' ' ASN . 43.1 t80 -70.61 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.688 ' ND2' ' CE2' ' A' ' 61' ' ' TYR . 5.3 m-80 -154.47 151.52 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -47.7 155.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -147.34 129.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.96 99.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -74.63 -22.16 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.43 -11.77 61.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.02 -3.5 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 40' ' ' ILE . 61.1 m -78.14 150.03 33.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 p -158.95 134.71 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 59.8 p-90 -117.68 157.33 26.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 107.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.17 -179.03 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 31' ' ' LEU . 6.5 mt -118.18 129.06 75.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -102.41 132.6 48.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 36.6 m-20 55.7 17.26 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.515 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 47.97 40.82 20.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -137.09 -42.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.524 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -115.39 142.28 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG12 ' A' ' 73' ' ' ILE . 2.4 t -95.59 122.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -101.36 149.02 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.744 ' HB ' HD23 ' A' ' 21' ' ' LEU . 47.5 t -133.26 136.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -116.18 98.65 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.59 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -90.83 144.16 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -113.53 125.92 54.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 17' ' ' ALA . 96.9 mttt -73.81 132.99 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.9 mm -57.43 -59.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -19.79 23.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 85' ' ' LYS . 9.4 pttt 42.36 71.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -171.64 43.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.3 OUTLIER -168.93 136.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.432 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 7.9 t-105 -82.82 144.28 30.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.625 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 41.5 m0 -91.8 137.67 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 5.1 m-20 -89.67 -12.73 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -172.35 115.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.625 HD13 ' CE3' ' A' ' 12' ' ' TRP . 12.5 tp -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 58' ' ' GLY . 8.5 m -120.38 152.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.434 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 36.5 p -80.35 -28.6 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.39 106.51 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' OD1' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -79.79 158.9 72.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.67 -63.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 103' ' ' ASN . 40.6 mt -105.25 163.68 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.642 ' O ' HG22 ' A' ' 104' ' ' THR . 3.1 p-10 -111.16 -55.47 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 103' ' ' ASN . 11.6 t 47.26 -165.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' N ' ' OG1' ' A' ' 104' ' ' THR . 0.0 OUTLIER 39.55 76.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 164.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.34 -68.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -75.8 151.2 84.44 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -123.64 -138.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.76 163.94 29.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -79.56 173.92 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -150.74 171.8 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.38 104.13 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.0 m -97.91 79.08 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.26 87.21 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mt -116.61 120.1 37.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.6 t0 179.57 158.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.65 101.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.66 110.49 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -115.78 141.65 47.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 141.82 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.1 p -139.42 160.66 39.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.11 161.64 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.26 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.31 157.07 43.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.45 144.79 15.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.46 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.23 160.31 26.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 169.89 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -147.4 168.5 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -104.59 171.43 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.01 154.44 16.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.98 -171.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 0.736 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.25 119.0 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.69 143.33 6.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 18.3 Cg_endo -75.0 -28.27 9.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 8' ' ' PRO . 0.1 OUTLIER 78.77 17.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 19.5 p90 -162.1 166.02 26.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 17.1 ptt85 -101.95 153.61 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CE3' HD23 ' A' ' 95' ' ' LEU . 31.5 p-90 -157.78 154.92 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -147.35 -158.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' N ' ' OG1' ' A' ' 13' ' ' THR . 14.6 pt20 170.5 178.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 p -142.7 48.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 46.72 26.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.89 -64.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -110.95 164.62 12.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' HE3' ' A' ' 85' ' ' LYS . 0.4 OUTLIER -104.05 158.18 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' THR . 58.8 m-20 -143.7 123.15 13.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -134.3 146.94 50.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.873 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.84 130.35 18.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE1' ' A' ' 25' ' ' PHE . 3.5 t -126.57 100.41 28.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.07 119.88 5.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 49' ' ' LEU . 12.9 m-85 -102.12 118.61 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 86.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.978 HG21 HD21 ' A' ' 31' ' ' LEU . 5.7 m -130.99 -177.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.63 2.38 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.3 p90 -124.68 179.43 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.97 103.11 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 27' ' ' VAL . 1.9 mm? -51.52 122.52 8.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.3 mmtt -90.59 166.79 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 46.79 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.31 -45.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -92.5 34.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 32' ' ' LYS . 11.6 t -126.78 168.74 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 47' ' ' VAL . 75.1 t -145.83 121.01 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.853 HG11 ' CG ' ' A' ' 71' ' ' TRP . 37.8 t -145.26 92.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -90.35 87.5 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.872 HG21 ' CB ' ' A' ' 69' ' ' SER . 84.8 mt -84.07 88.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -94.03 170.28 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.7 tpt180 -49.32 -47.88 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.18 51.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -163.07 133.88 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 81' ' ' VAL . 14.2 tp -130.47 108.07 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 17.2 ttm-85 -113.8 93.43 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 17.2 t -104.64 165.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 146.44 162.4 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 25' ' ' PHE . 52.4 mt -76.89 128.06 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.6 tttt -39.28 135.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.76 -43.87 3.02 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -73.78 171.14 11.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.799 HG13 HG23 ' A' ' 56' ' ' VAL . 8.7 p -70.25 -7.28 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.799 HG23 HG13 ' A' ' 55' ' ' VAL . 21.9 t -136.16 116.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 100' ' ' PRO . 50.7 p-10 -157.94 138.79 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.63 157.49 7.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.3 113.88 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 64' ' ' VAL . 46.4 mt -45.45 164.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 90.0 t80 -59.18 -37.77 78.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -160.71 172.36 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' CB ' HG13 ' A' ' 86' ' ' ILE . 42.9 mt-10 -55.89 144.81 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.616 HG21 HD13 ' A' ' 60' ' ' LEU . 3.7 m -141.49 129.69 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -52.66 100.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.5 m -75.08 -22.11 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.92 -17.59 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.52 -11.9 14.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.872 ' CB ' HG21 ' A' ' 40' ' ' ILE . 3.2 m -65.01 151.56 45.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -152.73 135.64 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.853 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -126.57 149.81 49.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.824 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -156.05 165.93 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.573 HG22 ' HA2' ' A' ' 76' ' ' GLY . 1.8 mp -101.62 102.99 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.48 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 1.7 m-20 48.54 23.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.43 55.74 4.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.742 ' HG3' HG13 ' A' ' 78' ' ' VAL . 15.6 pttt -156.76 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.742 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -112.88 135.26 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.421 HG21 ' HE2' ' A' ' 25' ' ' PHE . 3.1 t -86.92 108.4 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -94.41 145.11 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 45' ' ' LEU . 88.6 t -135.38 148.52 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.65 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.31 118.14 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -105.76 140.87 38.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -101.75 116.07 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 19' ' ' LEU . 69.3 mttt -61.79 143.56 56.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' CB ' ' A' ' 63' ' ' GLU . 12.2 mm -74.61 -29.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -108.14 -33.14 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' CG ' ' C ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER 40.7 73.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.47 -43.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -89.65 -169.31 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -124.43 135.81 53.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 29.2 m0 -81.9 119.42 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 108.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -65.72 -10.52 37.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -159.41 -155.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.2 tm? -117.15 -49.95 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.479 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -128.46 130.53 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' SER . 43.7 p -39.19 -31.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER 163.0 146.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.5 165.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.499 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 18.3 Cg_endo -75.03 -85.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -101.51 -102.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.2 mt -118.6 157.56 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 174.11 122.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.2 p -103.38 144.84 30.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -93.8 -173.68 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.92 -175.89 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.432 ' H ' HG23 ' A' ' 107' ' ' ILE . 0.2 OUTLIER -44.29 -40.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.405 ' H ' HD13 ' A' ' 107' ' ' ILE . 3.8 t30 175.19 150.83 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 110' ' ' GLU . 18.3 Cg_endo -75.0 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' PRO . 1.8 mm-40 37.09 88.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 175.52 137.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.0 p -167.92 52.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -63.52 -170.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.39 109.67 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 p -118.26 97.49 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.14 84.7 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.663 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -65.49 101.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -172.41 146.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.8 p -90.16 74.81 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -121.86 98.78 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 t -121.69 150.48 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -110.79 111.67 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 146.67 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.051 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.96 88.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.6 p -175.56 123.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 98.8 p -114.23 133.69 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -176.95 103.74 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.46 8.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t -160.52 150.46 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m -157.98 168.28 27.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 168.24 165.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.84 168.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.93 -134.16 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -166.5 134.91 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 88.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.53 169.24 17.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -145.15 -47.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 55' ' ' VAL . 27.4 p90 -112.08 159.21 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.4 ptp180 -100.58 148.84 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 21.8 p-90 -157.83 132.78 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -129.14 -169.68 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 26.5 pt20 179.42 149.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -111.22 31.09 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.4 9.73 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.78 -49.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 34.5 mt-10 -115.71 160.32 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -123.12 123.82 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -105.86 150.31 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.928 HD21 HG21 ' A' ' 56' ' ' VAL . 15.7 tp -152.91 141.83 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.87 121.44 11.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.695 ' CG1' HG21 ' A' ' 55' ' ' VAL . 48.1 t -120.44 102.35 45.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.03 139.75 24.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.1 m-85 -122.79 138.5 54.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 84.08 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.42 160.04 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.12 10.14 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -138.25 164.23 29.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 89.6 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.91 136.21 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.7 mmtt -96.76 -169.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.41 36.61 4.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -135.58 -47.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.23 -9.36 31.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.53 164.04 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -134.8 99.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.856 HG22 HG13 ' A' ' 47' ' ' VAL . 42.3 t -117.69 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -98.65 110.06 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.701 HG21 ' HB3' ' A' ' 69' ' ' SER . 85.4 mt -106.53 98.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -95.81 172.13 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -51.7 -56.85 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.2 52.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -171.77 120.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 40' ' ' ILE . 17.1 tp -115.35 131.66 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' ASP . 21.2 ttm180 -140.34 123.45 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.856 HG13 HG22 ' A' ' 38' ' ' VAL . 63.6 t -140.23 110.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HG13 ' A' ' 37' ' ' VAL . . . -148.28 177.49 26.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 25' ' ' PHE . 98.2 mt -103.22 113.47 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -36.88 124.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.53 -28.5 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -100.05 171.4 5.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 132.71 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.08 145.59 31.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.695 HG21 ' CG1' ' A' ' 23' ' ' VAL . 15.4 t -88.6 -34.7 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 21' ' ' LEU . 21.2 t -114.55 134.43 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -176.81 95.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.0 158.28 19.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 97' ' ' THR . 24.6 tt0 -69.22 143.21 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.25 145.37 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 6.5 t80 -63.08 -8.84 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.471 ' O ' HG13 ' A' ' 64' ' ' VAL . 24.1 t30 -167.52 125.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 52.5 mt-10 -33.99 117.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 60' ' ' LEU . 4.7 m -104.59 127.86 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.8 tttt -60.55 106.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 1.3 m -67.67 -31.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -62.57 -30.21 71.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.27 2.54 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.701 ' HB3' HG21 ' A' ' 40' ' ' ILE . 69.6 m -91.03 138.22 31.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.1 m -151.24 134.88 16.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.82 ' CG ' HG11 ' A' ' 38' ' ' VAL . 27.5 p-90 -121.14 162.76 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 74' ' ' GLU . 1.2 pp -160.98 161.15 31.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 79' ' ' VAL . 9.5 mt -105.27 105.4 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HG2' HD11 ' A' ' 72' ' ' LEU . 1.3 mt-10 -72.7 136.92 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.48 27.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.547 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 40.87 49.78 4.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.751 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.5 pttt -140.39 -47.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -115.06 144.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 73' ' ' ILE . 5.1 t -96.71 119.18 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -103.41 134.08 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 47' ' ' VAL . 49.0 t -122.54 145.02 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -130.05 104.24 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 160.58 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -137.48 108.98 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 92' ' ' TRP . 10.7 mttt -59.75 145.72 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -72.14 -29.91 34.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 88' ' ' LYS . 28.0 m120 -101.46 -29.26 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 32.41 71.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -158.08 -43.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' ' SD ' ' A' ' 89' ' ' MET . 9.4 pt-20 -82.26 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 92' ' ' TRP . 2.1 t-105 -110.29 128.22 55.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 19' ' ' LEU . 22.2 m0 -70.82 166.44 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.4 m-20 -114.57 -19.39 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -163.38 133.42 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.945 HD13 HG13 ' A' ' 96' ' ' VAL . 2.4 tm? -33.66 -61.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.945 HG13 HD13 ' A' ' 95' ' ' LEU . 1.6 m -122.42 165.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 59' ' ' GLU . 50.7 p -86.92 -34.66 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -128.91 86.74 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.42 148.64 40.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -65.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 72.43 125.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 103' ' ' ASN . 5.0 mt -100.85 174.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.628 ' H ' HG22 ' A' ' 102' ' ' ILE . 18.8 m-20 -98.21 35.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p -95.73 164.9 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 169.73 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -85.71 79.17 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -36.42 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -163.01 136.71 4.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -66.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.8 114.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -141.89 153.0 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 p -166.92 146.7 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.567 ' C ' HD13 ' A' ' 114' ' ' LEU . 22.3 mttp -148.91 141.98 24.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -141.04 89.24 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.469 ' HB3' HD12 ' A' ' 117' ' ' LEU . 55.4 m -59.97 -63.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.97 26.22 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 115' ' ' SER . 0.3 OUTLIER -70.36 160.8 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.43 -157.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.55 129.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.04 -146.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 t -160.45 -171.62 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.31 -178.57 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 56.3 p -159.24 164.05 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 109.976 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.99 155.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 126' ' ' SER . 2.6 p -118.75 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.785 ' N ' HG13 ' A' ' 125' ' ' VAL . 4.8 t -176.18 121.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.64 96.46 0.54 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -151.48 177.01 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 t -165.74 129.9 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 0.0 110.963 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.552 ' CB ' HG22 ' A' ' 23' ' ' VAL . 13.3 p90 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.537 0.208 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -89.28 142.19 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.626 ' CE3' HD23 ' A' ' 95' ' ' LEU . 38.6 p-90 -158.79 162.56 37.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.867 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.1 t -161.04 -147.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.177 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' N ' ' OG1' ' A' ' 13' ' ' THR . 3.3 pm0 177.13 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' THR . 10.3 t -161.4 56.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.71 30.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -160.27 -85.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.4 pp20? -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -106.54 165.71 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 8.3 m-20 -145.06 129.52 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.901 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -129.01 144.99 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.901 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.24 131.41 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG22 ' CB ' ' A' ' 10' ' ' TYR . 59.7 t -132.89 106.47 12.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 150.47 38.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 49' ' ' LEU . 15.5 m-85 -135.32 146.19 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 84.46 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 31' ' ' LEU . 2.6 m -122.46 167.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.34 10.54 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -137.1 176.76 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -93.98 93.74 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.1 mt -51.05 138.77 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.636 ' O ' HG23 ' A' ' 36' ' ' VAL . 9.4 mttm -109.34 168.99 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.67 52.08 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -143.15 -45.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -91.19 22.88 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 73' ' ' ILE . 29.7 t -111.56 171.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.545 ' N ' HG12 ' A' ' 36' ' ' VAL . 75.9 t -144.43 116.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 71' ' ' TRP . 22.2 t -141.82 106.29 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -107.56 80.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.802 HG21 ' CB ' ' A' ' 69' ' ' SER . 52.6 mt -77.84 95.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -97.19 172.58 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.84 -49.18 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.79 51.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 58' ' ' GLY . 4.2 t-160 -174.29 128.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.004 HD22 ' CD1' ' A' ' 83' ' ' LEU . 20.1 tp -120.18 107.27 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -113.19 119.25 37.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 69.1 t -128.7 158.52 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 161.45 -179.95 36.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 25' ' ' PHE . 92.5 mt -105.19 133.51 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -44.62 125.89 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.12 -28.65 5.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -90.41 169.59 11.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 142.49 28.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.96 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.527 1.803 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.442 HG12 ' HD2' ' A' ' 10' ' ' TYR . 11.9 t -56.06 -32.71 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 45' ' ' LEU . 40.0 t -116.91 136.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -174.51 96.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -178.71 164.84 33.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.63 119.0 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.611 HD13 HG21 ' A' ' 64' ' ' VAL . 17.3 mt -51.44 168.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 15.8 t80 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 63' ' ' GLU . 12.9 t-20 -178.76 161.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 57.7 mt-10 -50.91 150.97 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 42' ' ' ARG . 12.9 m -148.81 136.22 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.17 105.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.7 m -80.43 -35.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -56.92 -29.58 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -105.29 29.04 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.802 ' CB ' HG21 ' A' ' 40' ' ' ILE . 6.3 p -90.71 176.4 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.78 169.02 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CD1' HG11 ' A' ' 38' ' ' VAL . 61.0 p-90 -168.48 156.1 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.048 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.07 174.48 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 36' ' ' VAL . 44.1 mt -113.56 109.75 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -85.29 141.34 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.19 23.15 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 51.04 44.24 50.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 31' ' ' LEU . 15.8 pttt -163.91 -54.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG23 ' HG3' ' A' ' 77' ' ' LYS . 39.1 t -71.11 130.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.32 116.47 44.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -107.0 138.18 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.828 HG11 HD11 ' A' ' 45' ' ' LEU . 54.1 t -120.51 143.38 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 65.0 t60 -115.75 109.5 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.004 ' CD1' HD22 ' A' ' 45' ' ' LEU . 17.4 mt -102.7 149.35 24.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.74 130.78 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -73.64 156.75 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mm -81.85 -31.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -101.7 -40.55 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.582 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.49 47.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 89' ' ' MET . 2.5 ppp? -168.19 45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -150.48 135.19 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -87.82 132.15 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.606 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 33.5 m0 -93.93 141.13 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.56 -2.72 35.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.14 148.96 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.693 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -66.56 -54.3 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -125.27 148.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 75.3 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.41 ' CD1' HG12 ' A' ' 55' ' ' VAL . 36.0 p90 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.601 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -106.68 143.54 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 12.3 p-90 -151.25 132.13 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.4 p -137.71 -164.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -178.64 161.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.476 HG23 ' OE2' ' A' ' 18' ' ' GLU . 22.6 p -122.37 35.5 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt 61.04 15.75 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.17 -53.46 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' OE2' HG23 ' A' ' 15' ' ' THR . 0.7 OUTLIER -114.99 159.47 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD12 ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -118.83 128.49 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -112.3 130.25 56.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.97 144.31 47.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -145.43 138.52 26.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.73 HG12 ' CE1' ' A' ' 25' ' ' PHE . 60.4 t -135.19 102.77 10.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.98 142.86 28.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CE1' HG12 ' A' ' 23' ' ' VAL . 20.9 m-30 -125.74 148.83 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 87.34 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 31' ' ' LEU . 5.1 m -132.58 163.97 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.0 9.59 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -136.67 -177.46 4.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.52 99.26 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.543 HD11 HG11 ' A' ' 27' ' ' VAL . 13.5 mt -57.72 140.0 52.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 15.6 mttt -101.54 -171.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 26.39 22.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -119.63 -37.4 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 0.805 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.21 35.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.537 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -146.98 165.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.537 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 97.7 t -136.3 96.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 ' CG ' ' A' ' 71' ' ' TRP . 44.5 t -116.53 99.6 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.53 110.71 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.569 HG21 ' CB ' ' A' ' 69' ' ' SER . 78.3 mt -104.63 93.41 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.23 170.67 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -57.5 -50.61 72.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.72 51.94 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -172.76 137.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.2 tp -127.49 140.41 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 36.7 ttp180 -144.36 107.9 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 78.2 t -121.15 149.37 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.33 166.34 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 57.0 mt -84.24 139.55 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.63 126.44 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.67 -41.4 2.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.75 168.21 13.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.0 136.39 20.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.95 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 10' ' ' TYR . 13.6 t -56.14 -36.84 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 20.9 t -113.51 130.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -172.31 105.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.58 172.75 42.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.25 119.61 25.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 35.5 mt -58.87 166.32 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 5.0 t80 -67.41 -36.54 81.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -151.67 -177.89 6.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.9 152.78 38.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 85' ' ' LYS . 6.6 m -143.34 133.26 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.8 tttt -55.95 103.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -79.56 -22.38 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -22.91 61.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.48 -3.95 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.5 m -77.18 139.91 40.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.0 p -147.12 140.51 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.762 ' CG ' HG11 ' A' ' 38' ' ' VAL . 50.5 p-90 -125.99 160.03 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -154.95 173.66 16.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.849 HG12 HG22 ' A' ' 79' ' ' VAL . 30.2 mt -116.14 105.99 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.69 134.2 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 48.31 24.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.662 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.58 47.73 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.667 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.0 ptmt -137.97 -46.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.96 141.61 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 73' ' ' ILE . 2.5 t -93.16 114.11 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -96.8 133.99 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' A' ' 21' ' ' LEU . 87.4 t -122.02 133.51 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 69.7 t60 -119.52 105.16 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 132.86 36.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -103.97 103.81 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 64' ' ' VAL . 92.3 mttt -50.85 155.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.9 mm -75.02 -64.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 74.8 m-20 -89.81 -15.35 32.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER 47.36 25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -125.47 47.64 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -155.45 143.99 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -98.52 137.51 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.51 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 20.3 m0 -99.73 143.32 30.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -108.86 -0.7 19.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.533 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.85 127.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.729 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.7 tm? -43.26 -54.89 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.3 m -129.08 152.75 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.533 HG22 ' NE ' ' A' ' 94' ' ' ARG . 43.0 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.638 ' HB2' HG22 ' A' ' 23' ' ' VAL . 26.9 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' HD12 ' A' ' 21' ' ' LEU . 47.4 mtp85 -100.51 138.25 37.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 44.4 p-90 -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.541 ' O ' HD23 ' A' ' 19' ' ' LEU . 48.6 p -122.57 -165.18 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 179.94 171.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -143.59 41.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt 58.59 17.01 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.59 -69.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -95.37 155.68 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -121.42 121.25 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CB ' ' OG1' ' A' ' 13' ' ' THR . 0.5 OUTLIER -99.59 144.75 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 22' ' ' ALA . 15.1 tp -146.82 136.52 23.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.28 117.89 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.3 t -119.0 105.16 45.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.12 42.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.8 m-85 -135.65 162.12 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.98 98.17 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.024 HG21 HD21 ' A' ' 31' ' ' LEU . 1.5 m -141.55 165.88 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.44 12.76 22.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -137.33 175.51 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 128.26 34.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.024 HD21 HG21 ' A' ' 27' ' ' VAL . 3.9 mm? -68.11 128.43 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 1.032 ' O ' HG23 ' A' ' 36' ' ' VAL . 10.4 mttt -100.62 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.86 -18.05 70.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -1.4 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.89 -4.9 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 32' ' ' LYS . 29.3 t -101.73 168.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.5 t -146.07 118.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 40' ' ' ILE . 43.1 t -139.62 105.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -99.55 96.7 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.901 HG21 ' CB ' ' A' ' 69' ' ' SER . 49.3 mt -93.5 96.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 12.3 mm-40 -101.78 177.1 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.34 -53.2 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.72 49.97 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -166.02 129.38 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 83' ' ' LEU . 18.7 tp -119.93 148.33 43.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 112.14 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 90.1 t -122.62 160.88 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 148.2 162.67 10.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.936 HD21 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -84.38 131.95 34.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -40.09 130.44 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -41.54 3.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.59 167.06 38.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 133.92 17.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.02 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -55.62 -32.39 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.15 134.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.39 81.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.01 166.23 33.45 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.18 112.9 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 45' ' ' LEU . 51.6 mt -46.82 165.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 5.5 t80 -73.06 -26.71 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -159.18 172.49 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.79 155.2 38.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 42' ' ' ARG . 13.7 m -149.81 137.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLU . 12.0 tttt -62.3 108.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.2 m -78.97 -37.86 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.91 -20.25 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.8 25.81 10.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.901 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.3 m -104.55 161.78 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.5 p -162.55 -179.42 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -167.24 153.62 8.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.603 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -154.17 176.32 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' ' 31' ' ' LEU . 3.5 mt -112.19 126.12 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -94.91 144.75 25.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.5 22.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 47.93 52.91 15.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.887 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -171.86 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.336 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG23 ' CD ' ' A' ' 77' ' ' LYS . 99.6 t -90.69 143.74 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.481 HG21 ' HE2' ' A' ' 25' ' ' PHE . 11.4 t -101.07 138.34 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -132.91 140.21 47.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.56 153.34 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -129.58 107.81 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 45' ' ' LEU . 40.5 mt -104.45 154.9 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -129.98 132.08 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -75.95 151.93 37.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.8 mm -76.26 -48.74 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.35 -39.58 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.79 49.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.4 ' O ' ' SD ' ' A' ' 89' ' ' MET . 1.9 ppp? -161.05 26.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -132.02 137.8 47.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -91.36 134.79 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 107.95 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.442 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 34.9 m0 -95.9 141.66 29.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -98.66 -3.95 34.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.763 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -173.42 150.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 96' ' ' VAL . 1.8 tm? -63.51 -56.76 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -127.49 152.35 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.763 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 40.6 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB2' HG22 ' A' ' 23' ' ' VAL . 18.3 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.3 mtt180 -103.93 144.6 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 43.6 p-90 -153.93 128.03 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 p -126.07 -160.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 174.19 170.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -128.99 34.03 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 1.0 OUTLIER 65.85 11.69 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.77 -56.15 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.85 156.13 19.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.742 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -115.82 130.82 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 3.3 m-20 -113.6 146.19 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 11' ' ' ARG . 14.2 tp -149.98 141.88 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.7 117.0 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 10' ' ' TYR . 28.1 t -117.04 104.17 51.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 151.88 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.751 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.2 m-85 -133.96 145.44 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.44 91.86 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.13 166.07 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.1 0.44 13.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.18 169.3 10.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -88.77 108.45 19.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.69 127.78 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -93.22 175.74 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.75 -12.56 80.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HG2' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -105.23 11.25 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -11.99 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -117.72 167.22 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.2 t -134.75 97.11 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG11 ' CG ' ' A' ' 71' ' ' TRP . 13.6 t -111.38 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -101.73 101.51 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 69' ' ' SER . 71.0 mt -98.3 98.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -99.22 175.43 5.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.59 -52.23 65.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.1 52.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.94 136.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB2' HD11 ' A' ' 60' ' ' LEU . 20.2 tp -130.68 116.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -120.16 116.02 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 65.8 t -129.73 149.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 156.6 154.63 7.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.4 mm? -76.78 127.98 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 5.0 tttt -38.19 129.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.22 -39.61 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -77.02 167.5 36.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.4 Cg_endo -74.99 119.32 5.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.22 -31.93 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 45' ' ' LEU . 18.3 t -119.72 139.08 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.9 t0 179.49 37.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 164.59 12.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.89 105.69 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 64' ' ' VAL . 63.3 mt -43.67 159.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 51.1 t80 -50.77 -33.34 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.84 -177.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -54.14 145.75 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 60' ' ' LEU . 9.7 m -147.85 134.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.91 105.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.45 -36.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.18 3.89 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.518 ' HB2' HG21 ' A' ' 40' ' ' ILE . 2.0 p -78.56 162.35 26.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.4 p -167.94 135.28 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.827 ' CG ' HG11 ' A' ' 38' ' ' VAL . 37.2 p-90 -131.33 161.04 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.57 168.81 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.693 HD11 HG11 ' A' ' 36' ' ' VAL . 41.5 mt -109.77 113.09 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -83.59 145.43 28.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.35 30.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 45.14 38.33 6.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -152.77 -50.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' LYS . 54.6 t -78.1 146.29 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.21 114.99 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.8 p -103.59 152.52 21.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 47' ' ' VAL . 39.1 t -137.19 143.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 10.2 t60 -125.74 101.81 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.608 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.97 143.24 26.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -115.14 122.91 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 87.1 mttt -70.99 137.82 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.4 -49.71 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 33.0 m-80 -88.98 -33.22 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 9.8 pttt 44.68 60.15 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.56 23.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.39 124.61 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -70.08 142.72 52.61 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.742 ' CE3' HD11 ' A' ' 19' ' ' LEU . 40.2 m0 -91.18 153.4 20.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -119.76 14.66 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.493 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -178.19 124.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.849 HD12 HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -52.17 -50.12 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.849 HG13 HD12 ' A' ' 95' ' ' LEU . 6.3 m -120.23 174.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' NE ' ' A' ' 94' ' ' ARG . 69.8 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' VAL . 35.0 p90 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.483 0.182 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.38 148.6 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 95' ' ' LEU . 26.4 p-90 -159.06 134.73 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -137.35 -160.85 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 9.3 pm0 179.81 167.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 15' ' ' THR . 9.0 t -131.49 56.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 89' ' ' MET . 0.2 OUTLIER 39.62 34.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -159.82 -69.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -105.46 173.42 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 140.34 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 7.7 m-20 -125.73 128.43 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -131.34 143.49 50.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.695 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.41 128.4 17.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 21' ' ' LEU . 21.8 t -127.43 105.08 21.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.77 41.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -132.95 140.66 47.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.08 86.02 6.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 77' ' ' LYS . 4.8 m -128.1 162.88 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.15 7.79 16.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -137.21 168.61 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 114.54 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 77' ' ' LYS . 15.7 mt -72.75 132.06 43.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 19.7 mmtt -90.53 -173.67 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.45 13.79 61.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -25.02 7.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -91.48 20.12 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -137.83 166.32 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.548 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 57.8 t -134.03 100.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.861 HG11 ' CG ' ' A' ' 71' ' ' TRP . 53.8 t -117.38 98.85 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -99.34 112.07 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 69' ' ' SER . 90.8 mt -106.43 99.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 29.9 mm-40 -103.53 176.06 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -62.89 -51.49 66.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.36 50.66 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.66 133.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 83' ' ' LEU . 15.1 tp -130.03 127.21 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -129.48 106.27 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 HG21 ' A' ' 81' ' ' VAL . 90.9 t -118.98 150.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.4 -174.74 37.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 65.5 mt -106.68 129.98 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -39.46 130.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.32 -39.44 2.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -79.78 168.38 26.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 142.4 27.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.98 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.61 -36.57 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.88 126.9 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.24 121.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.57 156.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.85 112.64 7.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.746 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.0 mt -46.91 163.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 82.5 t80 -69.87 -36.32 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -147.89 162.28 39.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 67.7 mt-10 -61.65 142.9 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 m -132.18 134.55 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -56.7 104.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.98 -36.37 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.95 -38.77 73.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -89.56 -14.78 34.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.823 ' HB3' HG21 ' A' ' 40' ' ' ILE . 36.3 m -64.95 143.85 57.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 m -153.34 130.17 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.861 ' CG ' HG11 ' A' ' 38' ' ' VAL . 25.2 p-90 -112.76 162.91 15.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.8 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 72' ' ' LEU . 56.8 mt -123.29 112.79 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.2 mm-40 -93.24 137.11 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.45 12.61 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.95 45.93 93.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.73 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -170.98 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' GLU . 57.5 t -82.05 116.52 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.2 t -90.9 116.63 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.1 p -104.31 143.46 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 21' ' ' LEU . 71.8 t -128.27 131.88 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.562 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 31.2 t60 -115.24 116.79 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 45' ' ' LEU . 79.5 mt -114.28 146.94 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' VAL . 9.8 tm-20 -116.42 112.15 21.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -56.45 124.55 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mm -63.57 -23.72 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 88' ' ' LYS . 7.1 t30 -96.86 -59.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 89' ' ' MET . 7.1 pttt 90.3 128.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 36.3 mtp 76.05 53.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -141.96 96.83 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.604 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 28.9 m0 -78.34 128.57 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 107.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -77.06 -12.0 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -176.82 123.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.701 HD13 ' CE3' ' A' ' 12' ' ' TRP . 16.0 tp -43.05 -55.56 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 m -121.32 163.01 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 39.3 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -98.59 138.25 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 48.4 p-90 -154.14 130.74 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.6 p -130.26 -153.28 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' OE1' HD21 ' A' ' 19' ' ' LEU . 7.0 pt20 173.2 -175.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 17' ' ' ALA . 1.5 t -155.83 53.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 44.23 26.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -151.09 -77.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 157.55 16.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -113.08 134.26 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.67 143.89 41.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.724 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.1 tp -151.24 140.98 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -143.75 115.63 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -113.87 105.64 54.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.984 ' CD2' HD11 ' A' ' 49' ' ' LEU . 14.2 m-85 -138.2 147.19 43.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.34 76.93 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.46 163.48 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.04 13.37 18.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -138.58 179.6 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -97.88 105.26 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.6 mt -55.71 126.07 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.16 -47.54 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.64 -13.26 4.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -87.1 -10.21 53.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.37 3.69 20.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD2' ' A' ' 49' ' ' LEU . 35.5 t -112.79 165.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.616 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -141.18 127.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.749 ' HA ' HG22 ' A' ' 47' ' ' VAL . 75.8 t -146.35 92.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -88.33 99.53 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.758 HG21 ' HB3' ' A' ' 69' ' ' SER . 94.3 mt -93.8 89.98 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.77 167.81 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -54.65 -46.43 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 50.89 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -172.68 133.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 36.0 tp -135.09 112.3 10.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.3 ttm180 -119.03 115.93 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' ' 38' ' ' VAL . 92.7 t -134.33 120.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.624 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -164.5 92.75 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 25' ' ' PHE . 61.9 mt -20.22 114.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -37.09 117.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.93 -27.1 21.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -99.93 170.17 7.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.0 137.64 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 113.33 3.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.56 -33.27 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 21' ' ' LEU . 8.7 t -112.43 108.65 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -152.53 110.85 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.02 174.59 37.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -87.46 118.03 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 64' ' ' VAL . 47.7 mt -51.17 167.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 6.0 t80 -65.21 -32.27 73.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -167.32 -174.06 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.81 142.31 56.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.9 m -137.92 133.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.3 tttt -56.96 99.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 m -75.5 -30.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -17.85 55.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.97 -4.32 16.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.758 ' HB3' HG21 ' A' ' 40' ' ' ILE . 14.3 m -79.9 155.04 27.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.3 p -167.71 140.99 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -119.48 162.13 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -158.2 156.55 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 31' ' ' LEU . 5.2 mt -92.64 125.54 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.6 OUTLIER -103.21 137.87 40.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.52 15.68 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.11 43.88 93.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.916 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -168.24 -45.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 24' ' ' PRO . 75.1 t -81.52 151.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -116.72 134.33 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.6 p -122.2 139.35 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.4 146.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -130.54 101.94 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.76 150.77 21.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.4 mt-10 -127.62 125.87 41.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 31.4 mttt -70.13 153.69 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 mm -79.12 -31.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -96.2 -48.23 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 66.89 61.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.24 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 152.89 44.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -103.12 124.13 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 18.4 m0 -78.13 143.09 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -106.97 1.86 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.28 153.45 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.509 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -66.18 -56.66 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.509 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.6 m -120.96 148.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.461 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 41.4 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' VAL . 20.2 p90 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.467 0.175 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' HD22 ' A' ' 21' ' ' LEU . 3.7 ptp180 -102.51 142.96 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.7 p-90 -149.28 138.21 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p -139.39 172.79 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 16.2 pt20 -163.29 152.98 15.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.406 ' C ' ' N ' ' A' ' 17' ' ' ALA . 4.3 t -125.47 58.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.28 29.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -156.46 -77.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.24 160.94 13.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -120.09 127.76 52.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -106.81 130.74 54.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.783 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.53 142.4 47.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -144.9 126.95 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 21' ' ' LEU . 21.4 t -130.21 103.27 16.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.96 154.94 43.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -134.14 167.89 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -98.11 89.86 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.0 169.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.59 7.09 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -139.91 174.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.74 99.75 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.4 140.4 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 5.9 mmtt -91.06 171.71 9.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.12 28.79 6.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.99 -42.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -63.15 -11.49 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -108.37 166.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 72.8 t -134.7 104.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.689 HG11 ' CG ' ' A' ' 71' ' ' TRP . 46.7 t -120.37 101.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 112.63 24.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.675 HG21 ' CB ' ' A' ' 69' ' ' SER . 83.8 mt -113.2 100.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.521 ' C ' HG12 ' A' ' 66' ' ' VAL . 11.2 mm-40 -101.27 174.74 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.73 -57.16 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -129.72 54.2 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.359 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -173.97 119.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.646 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 83' ' ' LEU . 60.1 tp -108.45 163.03 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 6.2 ttm180 -170.14 127.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 38' ' ' VAL . 53.6 t -141.94 147.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 166.21 172.65 33.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 79.7 mt -95.65 130.78 42.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.0 tttm -40.14 127.48 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.97 -36.95 3.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -80.95 169.03 20.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.97 139.07 23.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.06 108.89 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -54.33 -35.14 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 31.9 t -115.51 142.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 t70 175.53 100.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.75 155.23 13.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 97' ' ' THR . 21.6 tt0 -64.26 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -74.97 145.96 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.619 ' HA ' HG22 ' A' ' 97' ' ' THR . 7.9 t80 -64.54 -8.84 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.6 t30 -167.51 124.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 71.9 mt-10 -34.13 116.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m -103.28 139.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.2 108.03 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -67.91 -34.05 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -44.67 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -82.48 8.38 11.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.675 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.9 p -89.69 152.79 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -167.45 132.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.689 ' CG ' HG11 ' A' ' 38' ' ' VAL . 30.2 p-90 -123.59 157.48 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.82 161.81 38.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 36' ' ' VAL . 4.0 mt -104.93 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER -68.44 128.37 36.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 48.33 23.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.58 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.04 37.67 7.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.841 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.8 pttp -126.19 -38.16 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.841 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -125.6 150.45 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.92 121.04 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.1 p -107.47 139.03 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HB ' HD12 ' A' ' 21' ' ' LEU . 52.2 t -126.71 140.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.513 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 1.3 t60 -121.18 95.55 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 45' ' ' LEU . 16.4 mt -87.86 162.0 17.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.513 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.0 OUTLIER -137.81 131.35 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 15.1 mttt -79.69 127.32 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.5 mm -55.05 -22.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -137.95 105.56 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.53 60.59 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmm -134.79 -44.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.44 174.76 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 1.2 t-105 -120.12 131.88 55.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' O ' ' CE2' ' A' ' 91' ' ' TRP . 13.6 m0 -76.01 149.07 37.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 9.0 t-20 -100.5 -8.42 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -168.48 -160.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.014 HD13 HG13 ' A' ' 96' ' ' VAL . 3.3 tm? -97.02 -52.05 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 1.014 HG13 HD13 ' A' ' 95' ' ' LEU . 3.1 m -130.84 140.36 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 61' ' ' TYR . 69.0 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HB2' HG22 ' A' ' 23' ' ' VAL . 36.8 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.586 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ptp180 -98.47 152.71 19.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.416 ' CZ3' HD21 ' A' ' 19' ' ' LEU . 52.0 p-90 -167.65 149.97 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -138.32 -169.1 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.1 pt20 -179.29 155.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 17' ' ' ALA . 2.8 t -124.52 59.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 40.45 29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -162.58 -69.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -95.22 160.83 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -127.6 138.07 52.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -122.71 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -135.89 144.01 45.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -145.52 130.26 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.8 t -131.91 102.19 14.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.94 149.06 36.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CG ' HD11 ' A' ' 49' ' ' LEU . 16.6 m-85 -130.56 139.06 50.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.92 80.91 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.16 165.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.78 10.67 19.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.74 172.0 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.48 92.62 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 49' ' ' LEU . 8.4 mt -41.9 126.65 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' HG12 ' A' ' 36' ' ' VAL . 17.4 mttt -87.66 167.33 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.92 56.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 3.7 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.88 5.68 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -127.99 166.68 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.3 t -136.8 101.05 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 HG22 ' A' ' 47' ' ' VAL . 54.7 t -119.86 103.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.41 77.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.5 ' CD1' HG13 ' A' ' 81' ' ' VAL . 18.1 mt -68.31 106.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 44' ' ' HIS . 14.9 tt0 -91.87 157.13 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.52 -49.82 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -117.03 31.09 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 5.3 t-80 -168.06 160.23 11.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.973 HD21 HG23 ' A' ' 47' ' ' VAL . 2.1 tt -143.69 130.28 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.889 ' N ' HD23 ' A' ' 45' ' ' LEU . 15.1 ttm105 -132.01 105.45 7.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.973 HG23 HD21 ' A' ' 45' ' ' LEU . 37.7 t -125.13 147.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 167.51 -172.85 42.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 31' ' ' LEU . 90.3 mt -106.91 130.1 54.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -39.37 126.39 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -40.3 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.99 169.32 21.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.06 140.52 25.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.07 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 23' ' ' VAL . 23.4 t -54.91 -39.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.5 ' CG1' HD22 ' A' ' 45' ' ' LEU . 6.2 t -107.59 126.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.87 104.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . . . 170.06 142.74 3.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.5 tt0 -50.36 122.06 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CG2' ' A' ' 64' ' ' VAL . 42.5 mt -58.38 157.23 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 43.2 t80 -65.53 -36.51 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.03 150.31 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.46 136.06 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.533 ' CG2' HD13 ' A' ' 60' ' ' LEU . 6.6 m -128.86 141.51 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -67.12 93.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.2 m -69.67 -37.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.09 -22.16 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -106.16 -22.56 12.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 m -54.37 147.44 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.4 p -152.09 138.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.605 ' CG ' HG11 ' A' ' 38' ' ' VAL . 51.5 p-90 -125.47 168.56 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -174.89 153.53 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 36' ' ' VAL . 4.2 mt -93.79 106.7 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.09 134.73 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.452 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 0.5 OUTLIER 45.39 25.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.22 51.57 11.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.572 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.3 pttt -144.69 -49.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.572 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.72 148.05 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 73' ' ' ILE . 3.0 t -100.26 127.79 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.6 p -110.93 144.93 39.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 21' ' ' LEU . 79.9 t -132.14 134.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -115.32 104.18 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -90.04 157.87 17.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -131.81 106.37 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 97.5 mttt -56.9 141.68 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -72.47 -48.04 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 88' ' ' LYS . 5.7 m120 -93.97 -19.54 20.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 33.75 56.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.21 33.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.78 130.8 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 28.8 t-105 -63.27 162.01 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 5.5 m0 -122.42 121.2 36.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 38.1 t30 -80.51 -1.74 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 176.99 149.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.16 -51.1 65.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 58' ' ' GLY . 3.6 m -102.64 -121.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 96' ' ' VAL . 35.7 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.457 ' CE2' HG22 ' A' ' 56' ' ' VAL . 19.8 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.507 0.194 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -102.45 143.34 32.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 95' ' ' LEU . 37.8 p-90 -156.85 156.67 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -147.15 -162.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 19' ' ' LEU . 18.0 pt20 172.32 175.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -142.65 37.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 5.8 mt 63.91 13.88 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -141.64 -61.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -107.22 158.03 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.613 ' CD1' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -124.64 121.07 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.07 139.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.8 tp -142.43 144.42 33.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.82 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.07 123.93 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -121.79 104.83 38.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.07 143.51 28.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.8 m-85 -123.51 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 92.77 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.057 HG21 HD21 ' A' ' 31' ' ' LEU . 2.8 m -140.03 172.37 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 8.63 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -131.69 169.52 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 135.67 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.057 HD21 HG21 ' A' ' 27' ' ' VAL . 1.7 mm? -81.38 121.24 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 36' ' ' VAL . 11.2 mttp -89.36 159.01 17.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.7 -6.67 51.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.49 18.02 15.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.74 8.49 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.19 167.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.549 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 88.7 t -131.71 98.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 71' ' ' TRP . 34.3 t -118.63 99.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.75 111.2 23.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.79 HG22 HG13 ' A' ' 66' ' ' VAL . 56.4 mt -102.29 114.38 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -113.56 -173.77 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.54 -49.12 61.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 3.0 ttt-85 -139.05 52.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -167.14 135.89 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 83' ' ' LEU . 14.6 tp -126.38 135.73 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 2.2 ttt180 -140.37 105.7 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 93.1 t -115.96 155.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.22 165.59 15.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' OE1' ' A' ' 52' ' ' GLN . 12.5 mt -90.8 135.56 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.96 128.48 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.79 -41.78 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.754 ' OE1' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.74 167.88 24.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 144.69 30.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -74.97 112.88 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 t -56.84 -35.64 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG22 ' CE2' ' A' ' 10' ' ' TYR . 46.9 t -112.16 133.81 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -176.43 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.69 161.86 28.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 97' ' ' THR . 42.5 tt0 -78.93 107.54 11.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -43.0 161.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB3' ' A' ' 92' ' ' TRP . 5.3 t80 -80.28 -30.55 38.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.471 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . 24.8 t30 -139.18 135.75 34.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG3' ' CD ' ' A' ' 43' ' ' ARG . 4.5 mp0 -46.06 162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.8 m -148.6 146.24 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -73.91 115.03 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.79 HG13 HG22 ' A' ' 40' ' ' ILE . 1.4 t -71.8 -64.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -41.37 -28.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' VAL . 1.6 mm-40 -106.23 45.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' VAL . 19.1 m -143.3 146.67 33.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.5 p -151.7 177.69 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 38' ' ' VAL . 54.8 p-90 -154.0 157.98 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 163.25 39.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.523 HD11 HG11 ' A' ' 36' ' ' VAL . 4.1 mt -101.65 127.94 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -100.29 136.86 39.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.6 19.05 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 52.22 45.71 57.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.21 -42.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.537 HG23 ' HG3' ' A' ' 77' ' ' LYS . 96.2 t -90.14 138.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.4 109.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.3 p -95.4 144.55 25.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 47' ' ' VAL . 59.4 t -131.01 134.49 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -115.55 111.9 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.857 HD11 HD22 ' A' ' 45' ' ' LEU . 21.2 mt -107.31 144.26 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.64 122.34 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 19' ' ' LEU . 21.8 mttp -63.5 149.95 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.45 -29.12 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.55 -41.48 6.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.661 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 1.9 mtmp? 65.4 42.88 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 26.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.42 128.37 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -99.95 136.85 39.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.613 ' CH2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.77 162.8 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.08 -25.3 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -147.36 122.52 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.72 HD13 ' CE3' ' A' ' 12' ' ' TRP . 8.1 tp -35.11 -62.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -105.16 151.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' GLU . 38.0 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 23' ' ' VAL . 12.6 p90 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.517 0.199 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -84.35 134.71 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 39.3 p-90 -146.59 136.64 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.049 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' HD23 ' A' ' 19' ' ' LEU . 31.6 p -137.67 -168.1 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 pm0 -179.26 165.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -130.66 55.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 47.47 27.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' CA ' ' HD2' ' A' ' 85' ' ' LYS . . . -166.63 -69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -88.27 152.22 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.19 125.39 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 1.6 m-20 -109.17 132.62 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -137.12 135.26 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.508 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -139.29 129.34 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.66 HG11 HG11 ' A' ' 55' ' ' VAL . 12.0 t -132.07 105.01 13.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 147.73 34.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.1 m-30 -124.66 169.27 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.73 90.42 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -134.16 169.79 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 3.54 12.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -131.1 175.96 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.79 106.37 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.71 130.59 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mmmt -104.98 -172.86 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.35 42.4 2.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.49 -42.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.14 35.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.36 166.14 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 54.1 t -138.21 96.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.596 HG11 ' CG ' ' A' ' 71' ' ' TRP . 50.0 t -111.8 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -93.63 110.56 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.795 HG21 ' CB ' ' A' ' 69' ' ' SER . 53.9 mt -102.84 101.65 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -104.67 179.25 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.2 tpp180 -66.51 -49.14 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -134.49 54.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -174.48 137.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 tp -130.84 120.17 23.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.2 ttm180 -122.92 114.39 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 57.4 t -122.56 148.07 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 162.32 155.38 7.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.6 mm? -78.72 133.73 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.9 tttt -39.76 134.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.84 -43.64 2.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -71.33 170.42 11.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.03 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.824 HG13 HG23 ' A' ' 56' ' ' VAL . 9.2 p -78.09 1.3 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.824 HG23 HG13 ' A' ' 55' ' ' VAL . 8.8 t -151.9 134.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' ASP . 29.9 t0 -175.48 125.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.42 155.73 8.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' LEU . 54.4 tt0 -77.82 106.52 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.6 mt -41.62 162.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 69.6 t80 -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -163.63 177.78 8.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.48 153.49 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.0 m -146.88 136.56 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 106.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.431 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.5 m -84.08 -24.82 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.03 -36.18 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.8 -14.94 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.795 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -51.16 157.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -167.12 129.86 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CG ' HG11 ' A' ' 38' ' ' VAL . 47.0 p-90 -126.15 160.38 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -157.56 -179.57 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.659 HG22 ' HA2' ' A' ' 76' ' ' GLY . 23.0 mt -123.24 109.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -72.26 131.51 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.87 22.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.16 56.7 6.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -147.28 -49.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -108.68 141.06 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 73' ' ' ILE . 15.6 t -89.85 115.16 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -101.97 133.03 47.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 21' ' ' LEU . 74.5 t -122.26 144.7 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 18.3 t60 -129.31 113.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.613 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -109.17 149.46 29.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.43 121.4 40.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' HD2' ' CA ' ' A' ' 17' ' ' ALA . 85.4 mttt -60.82 158.31 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.8 -39.04 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -97.28 -35.12 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.55 47.44 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 mmt -115.33 -48.08 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.03 -171.0 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -122.54 127.07 49.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.633 ' CE3' HD11 ' A' ' 19' ' ' LEU . 33.8 m0 -62.63 139.19 58.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.421 ' CB ' ' NH1' ' A' ' 94' ' ' ARG . 1.7 m120 -83.92 -13.5 53.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -162.31 -162.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.835 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -96.55 -50.99 4.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -131.33 138.99 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.6 p90 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.485 0.183 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 21' ' ' LEU . 59.2 mtp85 -83.67 139.33 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.8 p-90 -148.55 137.29 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.613 ' O ' HD23 ' A' ' 19' ' ' LEU . 29.9 p -138.68 -166.43 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -178.86 -166.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 11.9 t -168.48 57.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.822 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.52 30.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -151.59 -72.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -115.66 158.84 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -114.01 130.75 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -109.44 131.77 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -132.1 133.9 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -136.29 131.76 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 55' ' ' VAL . 82.0 t -131.93 102.3 14.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.01 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -107.9 144.36 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 9.9 ptt180 -75.12 85.4 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 31' ' ' LEU . 5.2 m -131.16 153.58 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 14.09 22.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -143.5 164.22 30.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 104.53 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 27' ' ' VAL . 12.7 mt -64.38 146.22 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -110.1 169.7 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.12 51.59 3.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.05 -45.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -8.02 50.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -112.52 166.86 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 58.3 t -134.46 101.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 47' ' ' VAL . 38.3 t -117.81 107.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.44 104.9 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 45' ' ' LEU . 71.5 mt -91.73 107.14 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 4.6 tt0 -101.38 151.44 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.645 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -41.1 -48.07 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH1' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -134.34 41.72 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -160.75 143.18 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.993 HD22 HD11 ' A' ' 83' ' ' LEU . 7.5 tp -131.84 117.67 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttm180 -120.96 109.15 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 38' ' ' VAL . 46.3 t -122.29 152.16 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.0 160.17 11.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 31' ' ' LEU . 40.7 mt -81.29 136.65 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.07 134.13 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.47 -43.83 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.33 170.49 14.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.99 155.34 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.96 114.39 4.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 23' ' ' VAL . 4.0 p -73.64 -1.75 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 55' ' ' VAL . 5.7 t -145.97 128.92 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -169.86 128.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 44' ' ' HIS . . . 158.1 154.05 6.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 97' ' ' THR . 38.5 tt0 -72.09 116.36 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 64' ' ' VAL . 43.9 mt -51.11 166.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 32.8 t80 -61.14 -36.01 78.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -164.65 171.12 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 43' ' ' ARG . 72.7 mt-10 -54.79 139.39 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -135.54 135.54 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.1 tttt -60.45 91.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -71.57 -31.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.25 -23.79 62.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -105.84 -9.8 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.5 m -71.63 137.32 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 p -139.73 132.95 29.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.617 ' CG ' HG11 ' A' ' 38' ' ' VAL . 40.1 p-90 -119.0 160.68 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.43 167.82 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 79' ' ' VAL . 16.1 mt -108.37 110.47 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.35 143.38 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER 40.41 29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 37.05 51.64 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.832 ' HG3' HG13 ' A' ' 78' ' ' VAL . 6.9 pttt -143.47 -45.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.832 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.66 148.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 73' ' ' ILE . 5.4 t -99.39 119.9 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -103.77 136.87 42.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.585 HG22 ' HB2' ' A' ' 71' ' ' TRP . 73.3 t -128.34 122.73 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 63.3 t60 -104.24 112.28 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.63 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.993 HD11 HD22 ' A' ' 45' ' ' LEU . 22.0 mt -99.47 156.69 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -133.25 112.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HG12 ' A' ' 64' ' ' VAL . 29.0 mttt -61.89 156.18 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 mm -80.66 -32.75 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.07 -43.21 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm 63.57 44.18 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.8 OUTLIER -165.46 31.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 3.4 tp10 -129.07 142.38 50.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 45.4 t-105 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 18.7 m0 -91.94 151.99 20.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.59 4.55 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' NH1' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -172.03 132.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.894 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.92 -51.96 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.894 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -127.8 148.41 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 59' ' ' GLU . 19.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.431 ' CB ' HG22 ' A' ' 23' ' ' VAL . 21.4 p90 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.52 0.2 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.626 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -108.41 147.18 31.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 19.4 p-90 -152.47 132.98 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 p -126.11 -167.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -179.93 172.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 15' ' ' THR . 6.1 t -136.79 37.44 2.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.9 12.7 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.935 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -146.5 -68.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -93.0 161.18 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -126.07 132.29 51.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -115.44 148.55 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 56' ' ' VAL . 13.3 tp -149.7 146.08 27.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.55 117.32 8.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 25' ' ' PHE . 47.8 t -118.36 104.62 47.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 153.89 41.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 19.8 m-85 -136.18 152.78 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.12 94.11 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG21 ' HG ' ' A' ' 31' ' ' LEU . 5.0 m -137.88 154.33 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -0.65 38.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -122.68 166.97 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.24 99.79 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 27' ' ' VAL . 14.3 mt -54.11 131.36 40.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.4 mttt -100.51 167.34 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.8 7.72 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -103.22 -19.66 14.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 17.9 22.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 32' ' ' LYS . 43.3 t -117.8 170.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.552 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.2 t -144.63 102.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG11 ' CD1' ' A' ' 71' ' ' TRP . 3.3 t -119.24 98.52 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.99 93.06 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.837 HG21 ' HB3' ' A' ' 69' ' ' SER . 81.2 mt -102.17 92.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.576 ' C ' HG12 ' A' ' 66' ' ' VAL . 43.7 mm-40 -93.24 175.62 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.08 -58.56 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HG2' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -128.9 54.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -173.44 113.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.622 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 46' ' ' ARG . 57.1 tp -101.78 160.3 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.572 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -171.57 121.79 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 81' ' ' VAL . 53.2 t -133.98 150.9 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.64 162.66 12.74 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -85.61 136.27 33.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 130.24 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.07 -42.7 3.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -71.13 167.21 31.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.98 138.64 23.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -74.98 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 t -56.42 -32.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.647 HG21 HD21 ' A' ' 21' ' ' LEU . 46.0 t -118.07 143.13 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t0 176.79 106.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.19 164.67 28.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 97' ' ' THR . 22.7 tt0 -71.08 144.18 50.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -80.51 137.15 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.64 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . 19.6 t80 -51.96 -21.11 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.7 t-20 -160.69 129.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 46.3 mt-10 -33.33 115.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 60' ' ' LEU . 4.5 m -103.27 130.2 53.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -62.56 106.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.5 m -65.48 -28.55 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -39.93 92.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.55 -2.88 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 40' ' ' ILE . 58.5 m -79.6 144.71 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.28 167.12 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.654 ' CD1' HG11 ' A' ' 38' ' ' VAL . 38.4 p-90 -162.71 161.45 26.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.77 157.17 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 36' ' ' VAL . 54.3 mt -97.1 112.86 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -89.91 147.3 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.18 23.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.19 33.6 30.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -154.67 -47.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.1 t -75.95 147.39 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.414 HG21 ' HE2' ' A' ' 25' ' ' PHE . 4.7 t -120.22 117.12 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 3.5 p -106.67 140.26 39.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 47' ' ' VAL . 58.3 t -128.76 139.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' SER . 18.2 t60 -126.09 103.23 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.497 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -94.13 172.39 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.7 123.18 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 34.1 mttt -65.77 160.55 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -89.69 -19.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.81 -55.02 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.935 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 5.5 mtmt 65.39 72.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.55 -42.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 163.09 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -106.69 119.68 39.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD11 ' A' ' 19' ' ' LEU . 21.3 m0 -71.44 154.02 41.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.023 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.58 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m-20 -112.48 -11.61 13.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.64 ' CZ ' ' HB2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -152.61 177.32 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.844 HD13 HG13 ' A' ' 96' ' ' VAL . 1.7 tm? -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.844 HG13 HD13 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -127.45 127.49 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 61' ' ' TYR . 43.5 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.478 0.18 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.543 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.0 ptp180 -110.49 152.76 25.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 37.8 p-90 -163.2 157.34 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.3 p -149.14 -170.96 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -179.24 152.27 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' THR . 6.0 t -121.81 42.14 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 61.89 17.21 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.67 -74.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 159.26 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -122.87 129.14 51.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -106.44 144.82 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.656 HD12 ' H ' ' A' ' 22' ' ' ALA . 13.1 tp -151.71 141.46 21.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.656 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.71 126.84 15.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HB ' ' A' ' 55' ' ' VAL . 11.1 t -126.31 104.46 25.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -74.98 151.7 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CG ' HD11 ' A' ' 49' ' ' LEU . 23.5 m-85 -134.56 152.95 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 86.21 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -129.62 163.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 5.35 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -126.45 175.59 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 6.5 mtt180 -96.25 99.58 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HB2' HG21 ' A' ' 73' ' ' ILE . 1.7 mt -47.52 143.99 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -100.19 -47.87 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 36' ' ' VAL . . . 138.52 -14.19 3.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -94.97 -2.03 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.23 5.81 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -122.18 165.35 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 48' ' ' GLY . 1.9 m -128.63 114.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.681 HG13 HG22 ' A' ' 47' ' ' VAL . 71.3 t -134.89 92.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 45' ' ' LEU . 6.9 t0 -90.01 120.88 31.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 81' ' ' VAL . 47.6 mt -113.22 91.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -101.01 161.27 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' HG11 ' A' ' 66' ' ' VAL . 1.2 tpt180 -46.37 -62.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.56 47.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -165.7 130.67 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 39' ' ' ASP . 14.6 tp -129.64 113.61 14.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 19.8 ttm180 -118.89 97.22 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.681 HG22 HG13 ' A' ' 38' ' ' VAL . 53.4 t -112.43 115.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.559 ' CA ' ' HA ' ' A' ' 54' ' ' PRO . . . -153.63 -177.89 27.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 25' ' ' PHE . 12.5 mt -109.25 129.0 55.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -41.62 122.9 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.06 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 1.1 mp0 -81.63 165.78 41.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 141.43 26.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.01 144.64 30.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HB ' HG11 ' A' ' 23' ' ' VAL . 12.1 t -85.67 -33.72 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 5.4 t -112.56 125.7 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -165.66 85.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.7 159.47 32.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.41 121.46 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.31 163.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.522 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 71.6 t80 -71.94 -36.9 70.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -153.55 142.9 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.04 148.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.11 135.09 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 7.9 tttt -59.94 97.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -71.11 -31.19 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.85 -20.23 63.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -114.75 5.34 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 40' ' ' ILE . 33.4 m -84.69 155.64 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' HIS . 89.1 p -163.85 147.07 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.647 ' CG ' HG11 ' A' ' 38' ' ' VAL . 44.5 p-90 -131.21 158.74 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.11 174.23 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 31' ' ' LEU . 2.9 mt -113.84 117.57 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -85.98 136.88 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 2.5 m-20 45.74 25.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.73 44.52 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.781 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -136.65 -44.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.781 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -115.74 145.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.429 HG13 ' CE3' ' A' ' 71' ' ' TRP . 32.3 t -95.06 124.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.76 140.84 41.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' ILE . 24.8 t -123.77 143.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' SER . 66.3 t60 -126.27 107.37 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 164.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -136.15 107.52 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -52.99 153.14 3.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mm -78.5 -37.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -92.67 -39.42 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt 64.17 42.07 5.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.11 70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.1 tp10 178.55 136.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 65.8 t-105 -88.39 118.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 31.2 m0 -67.41 160.79 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.439 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.6 m-20 -114.01 -12.63 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.736 ' HE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -176.09 121.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 ' CE3' ' A' ' 12' ' ' TRP . 13.7 tp -39.64 -55.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 m -120.61 147.76 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.736 HG22 ' HE ' ' A' ' 94' ' ' ARG . 40.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.505 0.193 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.598 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -116.5 149.23 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 37.2 p-90 -151.45 137.46 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 p -136.94 -165.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' NE2' ' CH2' ' A' ' 91' ' ' TRP . 11.8 pm0 179.98 -178.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' THR . 4.8 t -143.13 33.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 2.9 mt 66.64 10.59 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . . . -141.24 -65.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -118.31 132.6 56.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -114.81 130.32 56.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.77 HD11 HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -132.78 144.01 49.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.765 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.7 123.97 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.77 HG23 HD11 ' A' ' 21' ' ' LEU . 11.8 t -125.72 103.38 28.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.5 Cg_endo -75.0 160.13 40.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD2' HD11 ' A' ' 49' ' ' LEU . 27.9 m-85 -142.61 148.82 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 86.52 5.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.63 159.7 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 9.02 40.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -141.16 168.41 19.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 1.2 mtt180 -79.4 111.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD13 ' HD2' ' A' ' 25' ' ' PHE . 12.4 mt -59.61 129.31 41.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -107.62 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 22.52 14.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 1.26 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -142.33 39.76 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 32' ' ' LYS . 30.6 t -130.68 171.16 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.546 ' N ' HG12 ' A' ' 36' ' ' VAL . 25.4 t -144.9 113.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG11 ' CD1' ' A' ' 71' ' ' TRP . 24.8 t -141.45 104.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.24 100.38 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.859 HG22 HG13 ' A' ' 66' ' ' VAL . 89.4 mt -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.483 ' C ' HG22 ' A' ' 66' ' ' VAL . 9.2 mm100 -121.66 -173.52 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -126.09 46.69 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -159.22 121.42 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . 39.3 tp -110.33 148.43 31.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' H ' HD12 ' A' ' 45' ' ' LEU . 2.7 ttm180 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 81' ' ' VAL . 76.3 t -132.41 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 159.53 179.01 34.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 25' ' ' PHE . 69.8 mt -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 3.4 mttt -40.83 128.19 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.99 -41.4 3.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 168.58 26.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 143.64 29.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.05 107.72 2.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 23' ' ' VAL . 10.6 t -53.76 -35.33 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.9 t -117.74 137.28 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -176.47 90.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.18 166.14 38.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.897 ' OE1' HG21 ' A' ' 97' ' ' THR . 8.5 tt0 -75.12 144.36 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 0.813 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -78.65 148.11 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 5.6 t80 -66.18 -8.18 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.434 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.5 t-20 -166.0 125.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' ASN . 38.4 mt-10 -36.07 116.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' LEU . 11.4 m -100.52 136.91 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' GLU . 20.9 tttt -67.87 113.82 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 40' ' ' ILE . 1.6 t -67.72 -63.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.33 -29.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.4 mm-40 -104.89 44.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.8 m -147.2 151.12 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 p -158.29 -168.26 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.905 ' CD1' HG11 ' A' ' 38' ' ' VAL . 66.3 p-90 -163.6 156.88 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.0 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.14 176.66 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.616 HG22 ' HA2' ' A' ' 76' ' ' GLY . 13.6 mt -116.87 117.01 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -86.63 128.83 35.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 51.1 m-20 53.77 20.4 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.49 40.21 11.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.8 pttt -133.5 -45.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -114.43 143.28 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 19.2 t -93.11 134.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -119.19 138.93 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 47' ' ' VAL . 93.2 t -124.01 139.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -117.73 104.36 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.547 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -100.33 159.27 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -136.31 134.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 40.7 mttt -79.46 131.08 35.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mm -43.63 -27.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 85' ' ' LYS . 4.3 m-80 -147.11 149.32 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 3.3 ttpt -107.81 73.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.86 24.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.4 OUTLIER -150.52 137.74 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.473 ' CH2' ' NE2' ' A' ' 14' ' ' GLN . 39.7 t-105 -94.31 149.3 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 85' ' ' LYS . 18.3 m0 -95.47 157.62 15.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 33.5 t-20 -115.7 -10.9 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -167.44 138.48 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' VAL . 2.2 tm? -39.11 -61.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -126.27 151.97 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.897 HG21 ' OE1' ' A' ' 59' ' ' GLU . 41.0 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 p90 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.518 0.199 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.595 ' O ' HD22 ' A' ' 21' ' ' LEU . 14.8 ptp180 -92.92 153.65 18.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 41.4 p-90 -158.33 133.26 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' HD23 ' A' ' 19' ' ' LEU . 11.3 p -132.66 -168.64 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.54 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.5 pt20 176.2 -174.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' THR . 9.5 t -154.06 57.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 45.78 28.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.62 -86.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -93.02 156.73 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -112.31 129.85 56.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -110.37 131.47 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -133.17 143.79 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -140.95 132.1 26.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 21' ' ' LEU . 59.6 t -131.84 105.87 14.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.422 ' CA ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.99 154.77 42.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 49' ' ' LEU . 14.2 m-85 -137.56 161.24 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 92.0 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.901 HG21 HD21 ' A' ' 31' ' ' LEU . 2.6 m -138.07 165.35 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.89 3.27 30.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 27' ' ' VAL . 4.2 p90 -122.17 164.42 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 105.64 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.901 HD21 HG21 ' A' ' 27' ' ' VAL . 2.9 mm? -48.4 123.71 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.777 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -100.71 160.7 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.4 51.62 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -45.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -84.93 7.58 20.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 32' ' ' LYS . 21.7 t -98.47 166.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 36' ' ' VAL . 54.4 t -146.5 102.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.909 HG11 ' CD1' ' A' ' 71' ' ' TRP . 13.4 t -125.38 100.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -97.55 92.41 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.733 HG21 ' CB ' ' A' ' 69' ' ' SER . 88.1 mt -94.33 101.48 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' C ' HG11 ' A' ' 66' ' ' VAL . 37.3 mm-40 -101.64 177.59 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -58.97 -54.3 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.09 55.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -178.58 132.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.493 HD23 HG11 ' A' ' 56' ' ' VAL . 45.6 tp -116.46 165.2 13.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -169.54 102.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 81' ' ' VAL . 88.1 t -117.49 147.55 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 162.25 166.8 21.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.944 HD21 ' CE2' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -86.79 133.33 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -40.11 130.64 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.33 -41.87 3.04 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -73.13 167.55 33.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.764 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 139.36 24.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.01 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 ' HE1' ' A' ' 25' ' ' PHE . 12.1 t -54.6 -31.5 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HD23 ' A' ' 45' ' ' LEU . 48.3 t -114.29 139.83 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.75 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.833 ' HA3' HG21 ' A' ' 96' ' ' VAL . . . -150.26 164.25 29.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.724 ' C ' HG23 ' A' ' 96' ' ' VAL . 37.6 tt0 -83.51 98.14 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 64' ' ' VAL . 95.6 mt -41.52 160.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' ' NH2' ' A' ' 94' ' ' ARG . 2.4 t80 -62.73 -41.15 99.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.48 175.93 11.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -60.51 147.08 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CD1' ' A' ' 60' ' ' LEU . 4.9 m -137.14 127.62 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -52.51 103.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG11 ' C ' ' A' ' 41' ' ' GLN . 3.2 m -76.94 -35.98 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -27.59 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.79 -18.24 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.733 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.1 m -63.15 138.44 58.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -144.79 147.17 32.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.909 ' CD1' HG11 ' A' ' 38' ' ' VAL . 63.0 p-90 -134.22 157.71 45.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.4 175.85 13.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.606 HG22 ' HA2' ' A' ' 76' ' ' GLY . 3.5 mt -111.13 121.75 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -84.67 134.71 34.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 43.65 27.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.606 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 45.91 51.02 11.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.557 ' CE ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -157.32 -40.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.557 HG23 ' CE ' ' A' ' 77' ' ' LYS . 43.8 t -102.41 141.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.5 HG11 ' CG1' ' A' ' 47' ' ' VAL . 9.2 t -101.1 119.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.52 139.27 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 47' ' ' VAL . 75.8 t -126.08 114.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.406 ' CE1' ' CD ' ' A' ' 18' ' ' GLU . 47.3 t60 -99.44 93.3 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.55 -173.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -162.07 121.53 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 90' ' ' GLU . 96.2 mttt -71.12 131.96 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 mm -39.85 -50.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' LYS . 29.3 m-20 -155.92 58.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 37.72 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.4 mmt -56.3 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 1.6 pt-20 -162.4 -174.55 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 16' ' ' LEU . 12.1 t-105 -79.56 82.77 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.064 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CE3' HD11 ' A' ' 19' ' ' LEU . 34.0 m0 -42.22 150.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.541 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.1 m-80 -113.05 -2.33 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.698 ' HE ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.76 156.14 31.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 95' ' ' LEU . 2.4 tm? -67.8 -49.2 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.833 HG21 ' HA3' ' A' ' 58' ' ' GLY . 13.2 p -138.78 150.84 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.592 ' N ' ' NH1' ' A' ' 94' ' ' ARG . 44.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.466 ' HD2' HG12 ' A' ' 55' ' ' VAL . 25.0 p90 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -95.86 141.03 29.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 36.1 p-90 -153.62 140.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 19' ' ' LEU . 82.7 p -133.46 -165.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 13' ' ' THR . 13.5 pm0 -177.3 149.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' THR . 10.0 t -126.57 59.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.97 29.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -165.83 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 1.5 mt-10 -83.11 155.14 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.99 127.97 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -104.07 143.46 32.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 56' ' ' VAL . 16.4 tp -150.39 143.19 24.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.664 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.94 124.26 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 HG11 ' A' ' 55' ' ' VAL . 48.7 t -123.41 102.4 36.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.0 150.68 38.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CG ' HD11 ' A' ' 49' ' ' LEU . 61.2 m-85 -134.04 134.76 42.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.6 mtp-105 -70.58 84.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' PHE . 4.2 m -130.0 155.77 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.75 10.96 28.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -143.67 164.99 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CG ' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -75.3 98.87 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 8.8 mt -49.43 127.44 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.915 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.9 mmmt -85.54 165.33 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -11.85 85.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 13.88 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.15 16.79 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 32' ' ' LYS . 38.3 t -121.49 167.12 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.598 HG13 ' C ' ' A' ' 48' ' ' GLY . 0.8 OUTLIER -141.8 118.57 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.707 HG22 HG13 ' A' ' 47' ' ' VAL . 30.9 t -140.51 92.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 46' ' ' ARG . 5.2 t70 -93.98 87.32 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.644 HG21 ' CB ' ' A' ' 69' ' ' SER . 66.5 mt -87.26 91.19 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 15.4 mm-40 -92.49 172.61 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.68 41.22 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 2.2 t-80 -171.96 144.86 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.005 ' CD2' HG23 ' A' ' 47' ' ' VAL . 1.7 tt -138.51 119.59 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 20.3 ttm180 -124.23 89.75 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.005 HG23 ' CD2' ' A' ' 45' ' ' LEU . 55.6 t -109.1 124.42 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.598 ' C ' HG13 ' A' ' 37' ' ' VAL . . . -161.5 -158.44 9.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' CG ' ' A' ' 25' ' ' PHE . 41.9 mt -124.63 127.99 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 1.3 mttm -43.42 117.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.21 -36.3 3.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.65 169.0 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.01 145.11 31.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.2 Cg_endo -75.06 126.37 9.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.699 HG11 HG13 ' A' ' 23' ' ' VAL . 7.3 t -72.2 -38.75 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 21' ' ' LEU . 12.7 t -109.26 125.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.24 123.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.9 158.17 8.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.82 114.82 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 64' ' ' VAL . 44.7 mt -49.41 164.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.515 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 5.3 t80 -63.25 -35.8 81.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.427 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 14.5 t-20 -161.3 161.54 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 69.7 mt-10 -50.93 142.15 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 4.4 m -138.28 138.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -60.03 101.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 42' ' ' ARG . 3.8 m -75.16 -37.49 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.94 -15.62 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -106.34 -11.31 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.644 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.24 171.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.0 p -178.24 133.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.563 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -129.91 159.31 37.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.45 150.63 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.639 HG22 ' HA2' ' A' ' 76' ' ' GLY . 5.6 mt -91.69 106.79 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -75.45 131.51 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.49 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 7.1 m-20 44.37 27.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.639 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.22 35.47 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.863 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.2 pttt -125.76 -39.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.863 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -126.99 151.66 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.48 128.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.5 p -106.87 145.38 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 47' ' ' VAL . 46.4 t -131.38 143.23 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' GLU . 11.2 t60 -127.24 108.44 10.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.1 156.27 17.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -126.34 123.03 37.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 64' ' ' VAL . 73.5 mttt -71.47 150.07 45.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -82.03 -41.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 88' ' ' LYS . 15.5 p30 -97.06 -27.29 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 5.5 ptpt 38.67 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -163.38 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.75 138.03 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -82.3 134.23 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.015 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.515 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 19.5 m0 -90.17 141.27 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.2 4.39 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.65 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.82 131.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.863 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.07 -52.23 52.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 95' ' ' LEU . 9.9 m -124.87 155.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.65 HG22 ' NE ' ' A' ' 94' ' ' ARG . 75.4 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.733 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.2 p90 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.491 0.186 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.2 mtt-85 -100.73 146.77 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 50.9 p-90 -153.69 146.39 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 19' ' ' LEU . 44.6 p -141.48 -172.1 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.0 pt20 -178.94 155.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' THR . 14.9 t -121.75 38.53 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt 64.12 14.52 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 88' ' ' LYS . . . -141.55 -67.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -103.34 156.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -118.04 119.09 33.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -98.08 141.51 30.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.3 tp -139.07 141.8 38.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.54 121.32 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 55' ' ' VAL . 57.4 t -124.93 103.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 138.59 23.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -119.45 145.99 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -86.49 84.85 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.89 161.7 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 13.21 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.68 164.77 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 100.59 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' CD2' ' A' ' 49' ' ' LEU . 14.5 mt -54.18 136.04 43.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 mmtt -109.08 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.81 11.51 61.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 5.96 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -140.37 33.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 73' ' ' ILE . 23.1 t -128.66 170.39 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.536 ' N ' HG12 ' A' ' 36' ' ' VAL . 24.6 t -144.51 101.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 4.5 t -127.65 105.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -97.74 98.14 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.784 HG22 HG13 ' A' ' 66' ' ' VAL . 50.6 mt -89.86 113.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -115.77 -173.14 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.531 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -78.39 -38.94 40.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.88 56.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -177.14 140.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.018 HD22 HD11 ' A' ' 83' ' ' LEU . 5.6 tp -129.5 121.19 26.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttp180 -124.04 113.79 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 49.1 t -124.26 153.94 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.25 159.58 10.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' CD2' HD22 ' A' ' 31' ' ' LEU . 32.9 mt -82.95 137.67 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 132.89 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.37 -42.72 2.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.82 170.64 14.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.07 118.02 5.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 23' ' ' VAL . 4.3 p -77.83 2.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.77 HG23 HG13 ' A' ' 55' ' ' VAL . 8.1 t -150.99 130.55 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -171.6 112.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.06 155.48 12.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 97' ' ' THR . 34.5 tt0 -73.94 110.56 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 48.0 mt -43.53 163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 78.6 t80 -68.94 -31.5 70.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -153.22 163.82 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.33 158.76 6.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 42' ' ' ARG . 18.0 m -150.84 145.97 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.0 tttm -70.93 116.56 11.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.784 HG13 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -77.09 -64.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -41.92 -27.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.1 mm-40 -105.97 44.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.7 m -143.06 160.95 39.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -162.28 -176.82 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.659 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 65.1 p-90 -156.94 161.62 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.056 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -161.73 177.39 9.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 36' ' ' VAL . 20.5 mt -115.56 121.68 67.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -87.69 134.31 33.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 47.62 23.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.46 57.86 4.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -153.53 -42.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -115.89 144.79 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.15 130.9 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -116.31 140.8 48.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 40' ' ' ILE . 60.9 t -128.48 148.45 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -122.31 107.59 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.614 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD22 ' A' ' 45' ' ' LEU . 20.2 mt -102.72 141.44 35.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -116.56 120.4 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.97 156.05 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 mm -85.99 -47.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -93.45 -24.79 17.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 6.3 ptmt 40.57 75.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.3 tt0 -85.59 136.78 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 3.1 t-105 -86.17 134.24 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 22.8 m0 -80.16 153.17 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.33 -16.87 15.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.14 130.8 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.662 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -41.08 -57.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -123.56 146.42 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' GLU . 33.1 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.739 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.81 151.63 21.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 95' ' ' LEU . 28.2 p-90 -159.38 131.67 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 107.973 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.745 ' O ' HD23 ' A' ' 19' ' ' LEU . 34.0 p -130.07 -165.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -178.84 169.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.761 HG22 ' HG3' ' A' ' 18' ' ' GLU . 14.3 t -139.76 60.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.93 30.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' LYS . . . -166.09 -83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.761 ' HG3' HG22 ' A' ' 15' ' ' THR . 0.1 OUTLIER -82.54 155.82 24.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.65 128.49 51.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.49 145.43 34.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.744 HD23 ' HB ' ' A' ' 81' ' ' VAL . 6.8 tp -149.9 146.31 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.64 118.4 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 55' ' ' VAL . 55.4 t -112.35 100.07 48.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 122.32 7.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 12.9 m-85 -109.33 137.92 46.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 83.73 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 31' ' ' LEU . 2.9 m -125.71 154.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 11.05 37.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -139.29 166.61 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 111.99 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.896 ' O ' HD13 ' A' ' 73' ' ' ILE . 11.0 mt -70.2 114.09 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -86.2 159.08 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 51.01 2.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -143.69 -44.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.9 15.74 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 32' ' ' LYS . 15.2 t -111.39 168.56 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -145.31 121.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 47' ' ' VAL . 47.6 t -147.32 92.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.93 99.79 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.628 HG21 ' CB ' ' A' ' 69' ' ' SER . 33.5 mt -90.88 92.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -96.59 170.55 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -45.89 -55.76 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.3 51.25 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -159.9 133.21 6.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 tp -128.34 111.09 12.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.6 ttm180 -116.79 117.76 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 38' ' ' VAL . 40.9 t -135.15 123.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -161.19 89.2 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.7 mt -19.06 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -40.84 121.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.71 -35.73 4.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.94 168.67 16.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.321 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 150.7 38.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.614 HG13 HG23 ' A' ' 56' ' ' VAL . 3.7 p -73.42 -5.56 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 55' ' ' VAL . 4.0 t -139.39 115.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -160.57 94.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 96' ' ' VAL . . . -168.61 147.74 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -65.28 119.81 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 45.0 mt -52.06 162.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CE2' ' OD1' ' A' ' 62' ' ' ASN . 43.1 t80 -70.61 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.54 ' OD1' ' CE2' ' A' ' 61' ' ' TYR . 2.6 m120 -154.47 151.52 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -47.7 155.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -147.34 129.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.96 99.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -74.63 -22.16 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.43 -11.77 61.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.02 -3.5 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 40' ' ' ILE . 61.1 m -78.14 150.03 33.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 p -158.95 134.71 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 59.8 p-90 -117.68 157.33 26.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 107.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.17 -179.03 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 31' ' ' LEU . 6.5 mt -118.18 129.06 75.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -102.41 132.6 48.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 36.6 m-20 55.7 17.26 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.515 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 47.97 40.82 20.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -137.09 -42.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.524 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -115.39 142.28 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG12 ' A' ' 73' ' ' ILE . 2.4 t -95.59 122.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -101.36 149.02 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.744 ' HB ' HD23 ' A' ' 21' ' ' LEU . 47.5 t -133.26 136.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -116.18 98.65 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.59 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -90.83 144.16 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -113.53 125.92 54.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 17' ' ' ALA . 96.9 mttt -73.81 132.99 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.9 mm -57.43 -59.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -19.79 23.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 85' ' ' LYS . 9.4 pttt 42.36 71.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -171.64 43.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.3 OUTLIER -168.93 136.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.432 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 7.9 t-105 -82.82 144.28 30.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.625 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 41.5 m0 -91.8 137.67 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 5.1 m-20 -89.67 -12.73 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -172.35 115.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.625 HD13 ' CE3' ' A' ' 12' ' ' TRP . 12.5 tp -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 58' ' ' GLY . 8.5 m -120.38 152.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.434 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 36.5 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CE2' HG22 ' A' ' 56' ' ' VAL . 19.5 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.534 0.207 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 17.1 ptt85 -101.95 153.61 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CE3' HD23 ' A' ' 95' ' ' LEU . 31.5 p-90 -157.78 154.92 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -147.35 -158.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.441 ' N ' ' OG1' ' A' ' 13' ' ' THR . 14.6 pt20 170.5 178.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 p -142.7 48.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 46.72 26.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.89 -64.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -110.95 164.62 12.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' HE3' ' A' ' 85' ' ' LYS . 0.4 OUTLIER -104.05 158.18 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' THR . 58.8 m-20 -143.7 123.15 13.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -134.3 146.94 50.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.873 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.84 130.35 18.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE1' ' A' ' 25' ' ' PHE . 3.5 t -126.57 100.41 28.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.07 119.88 5.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 49' ' ' LEU . 12.9 m-85 -102.12 118.61 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 86.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.978 HG21 HD21 ' A' ' 31' ' ' LEU . 5.7 m -130.99 -177.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.63 2.38 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.3 p90 -124.68 179.43 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.97 103.11 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 27' ' ' VAL . 1.9 mm? -51.52 122.52 8.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.3 mmtt -90.59 166.79 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 46.79 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.31 -45.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -92.5 34.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 32' ' ' LYS . 11.6 t -126.78 168.74 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 47' ' ' VAL . 75.1 t -145.83 121.01 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.853 HG11 ' CG ' ' A' ' 71' ' ' TRP . 37.8 t -145.26 92.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -90.35 87.5 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.872 HG21 ' CB ' ' A' ' 69' ' ' SER . 84.8 mt -84.07 88.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -94.03 170.28 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.7 tpt180 -49.32 -47.88 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.18 51.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -163.07 133.88 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 81' ' ' VAL . 14.2 tp -130.47 108.07 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 17.2 ttm-85 -113.8 93.43 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 17.2 t -104.64 165.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 146.44 162.4 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 25' ' ' PHE . 52.4 mt -76.89 128.06 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.6 tttt -39.28 135.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.76 -43.87 3.02 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -73.78 171.14 11.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.799 HG13 HG23 ' A' ' 56' ' ' VAL . 8.7 p -70.25 -7.28 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.799 HG23 HG13 ' A' ' 55' ' ' VAL . 21.9 t -136.16 116.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -157.94 138.79 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.63 157.49 7.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.3 113.88 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 64' ' ' VAL . 46.4 mt -45.45 164.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 90.0 t80 -59.18 -37.77 78.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -160.71 172.36 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.407 ' CB ' HG13 ' A' ' 86' ' ' ILE . 42.9 mt-10 -55.89 144.81 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.616 HG21 HD13 ' A' ' 60' ' ' LEU . 3.7 m -141.49 129.69 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -52.66 100.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.5 m -75.08 -22.11 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.92 -17.59 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.52 -11.9 14.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.872 ' CB ' HG21 ' A' ' 40' ' ' ILE . 3.2 m -65.01 151.56 45.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -152.73 135.64 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.853 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -126.57 149.81 49.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.824 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -156.05 165.93 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.573 HG22 ' HA2' ' A' ' 76' ' ' GLY . 1.8 mp -101.62 102.99 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.48 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 1.7 m-20 48.54 23.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.43 55.74 4.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.742 ' HG3' HG13 ' A' ' 78' ' ' VAL . 15.6 pttt -156.76 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.742 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -112.88 135.26 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.421 HG21 ' HE2' ' A' ' 25' ' ' PHE . 3.1 t -86.92 108.4 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -94.41 145.11 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 45' ' ' LEU . 88.6 t -135.38 148.52 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.65 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.31 118.14 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -105.76 140.87 38.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -101.75 116.07 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 19' ' ' LEU . 69.3 mttt -61.79 143.56 56.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' CB ' ' A' ' 63' ' ' GLU . 12.2 mm -74.61 -29.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -108.14 -33.14 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' CG ' ' C ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER 40.7 73.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.47 -43.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.476 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -89.65 -169.31 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -124.43 135.81 53.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 29.2 m0 -81.9 119.42 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 108.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -65.72 -10.52 37.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -159.41 -155.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.2 tm? -117.15 -49.95 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.479 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -128.46 130.53 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 60' ' ' LEU . 43.7 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 55' ' ' VAL . 27.4 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.4 ptp180 -100.58 148.84 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 21.8 p-90 -157.83 132.78 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -129.14 -169.68 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 26.5 pt20 179.42 149.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -111.22 31.09 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.4 9.73 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.78 -49.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 34.5 mt-10 -115.71 160.32 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -123.12 123.82 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -105.86 150.31 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.928 HD21 HG21 ' A' ' 56' ' ' VAL . 15.7 tp -152.91 141.83 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.87 121.44 11.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.695 ' CG1' HG21 ' A' ' 55' ' ' VAL . 48.1 t -120.44 102.35 45.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.03 139.75 24.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.1 m-85 -122.79 138.5 54.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 84.08 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.42 160.04 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.12 10.14 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -138.25 164.23 29.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 89.6 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.91 136.21 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.7 mmtt -96.76 -169.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.41 36.61 4.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -135.58 -47.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.23 -9.36 31.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.53 164.04 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -134.8 99.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.856 HG22 HG13 ' A' ' 47' ' ' VAL . 42.3 t -117.69 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -98.65 110.06 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.701 HG21 ' HB3' ' A' ' 69' ' ' SER . 85.4 mt -106.53 98.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -95.81 172.13 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -51.7 -56.85 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.2 52.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -171.77 120.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 40' ' ' ILE . 17.1 tp -115.35 131.66 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' ASP . 21.2 ttm180 -140.34 123.45 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.856 HG13 HG22 ' A' ' 38' ' ' VAL . 63.6 t -140.23 110.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HG13 ' A' ' 37' ' ' VAL . . . -148.28 177.49 26.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 25' ' ' PHE . 98.2 mt -103.22 113.47 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -36.88 124.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.53 -28.5 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -100.05 171.4 5.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 132.71 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.08 145.59 31.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.695 HG21 ' CG1' ' A' ' 23' ' ' VAL . 15.4 t -88.6 -34.7 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 21' ' ' LEU . 21.2 t -114.55 134.43 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -176.81 95.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.0 158.28 19.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 97' ' ' THR . 24.6 tt0 -69.22 143.21 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.25 145.37 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 6.5 t80 -63.08 -8.84 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.471 ' O ' HG13 ' A' ' 64' ' ' VAL . 9.6 t-20 -167.52 125.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 52.5 mt-10 -33.99 117.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 60' ' ' LEU . 4.7 m -104.59 127.86 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.8 tttt -60.55 106.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 1.3 m -67.67 -31.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -62.57 -30.21 71.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.27 2.54 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.701 ' HB3' HG21 ' A' ' 40' ' ' ILE . 69.6 m -91.03 138.22 31.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.1 m -151.24 134.88 16.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.82 ' CG ' HG11 ' A' ' 38' ' ' VAL . 27.5 p-90 -121.14 162.76 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 74' ' ' GLU . 1.2 pp -160.98 161.15 31.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 79' ' ' VAL . 9.5 mt -105.27 105.4 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HG2' HD11 ' A' ' 72' ' ' LEU . 1.3 mt-10 -72.7 136.92 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.48 27.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.547 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 40.87 49.78 4.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.751 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.5 pttt -140.39 -47.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -115.06 144.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 73' ' ' ILE . 5.1 t -96.71 119.18 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -103.41 134.08 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 47' ' ' VAL . 49.0 t -122.54 145.02 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -130.05 104.24 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 160.58 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -137.48 108.98 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 92' ' ' TRP . 10.7 mttt -59.75 145.72 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -72.14 -29.91 34.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 88' ' ' LYS . 28.0 m120 -101.46 -29.26 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 32.41 71.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -158.08 -43.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' ' SD ' ' A' ' 89' ' ' MET . 9.4 pt-20 -82.26 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 92' ' ' TRP . 2.1 t-105 -110.29 128.22 55.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 19' ' ' LEU . 22.2 m0 -70.82 166.44 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.4 m-20 -114.57 -19.39 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -163.38 133.42 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.945 HD13 HG13 ' A' ' 96' ' ' VAL . 2.4 tm? -33.66 -61.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.945 HG13 HD13 ' A' ' 95' ' ' LEU . 1.6 m -122.42 165.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 59' ' ' GLU . 50.7 p . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t 59.56 92.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -125.8 -55.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.27 -54.14 0.4 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -106.58 140.59 39.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.16 158.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.2 169.94 22.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.945 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.57 ' ND2' HG13 ' A' ' 55' ' ' VAL . 58.9 t-20 -136.99 -46.35 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.552 ' CB ' HG22 ' A' ' 23' ' ' VAL . 13.3 p90 -120.21 155.59 32.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 mtp85 -89.28 142.19 27.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.626 ' CE3' HD23 ' A' ' 95' ' ' LEU . 38.6 p-90 -158.79 162.56 37.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.867 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.1 t -161.04 -147.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.177 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' N ' ' OG1' ' A' ' 13' ' ' THR . 3.3 pm0 177.13 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' THR . 10.3 t -161.4 56.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.836 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.71 30.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -160.27 -85.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.53 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.4 pp20? -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -106.54 165.71 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 8.3 m-20 -145.06 129.52 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.901 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -129.01 144.99 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.901 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.24 131.41 20.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG22 ' CB ' ' A' ' 10' ' ' TYR . 59.7 t -132.89 106.47 12.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 150.47 38.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 49' ' ' LEU . 15.5 m-85 -135.32 146.19 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.12 84.46 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 31' ' ' LEU . 2.6 m -122.46 167.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.34 10.54 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -137.1 176.76 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -93.98 93.74 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.1 mt -51.05 138.77 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.636 ' O ' HG23 ' A' ' 36' ' ' VAL . 9.4 mttm -109.34 168.99 8.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.67 52.08 2.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -143.15 -45.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -91.19 22.88 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.9 HG21 HD11 ' A' ' 73' ' ' ILE . 29.7 t -111.56 171.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.545 ' N ' HG12 ' A' ' 36' ' ' VAL . 75.9 t -144.43 116.37 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 71' ' ' TRP . 22.2 t -141.82 106.29 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -107.56 80.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.802 HG21 ' CB ' ' A' ' 69' ' ' SER . 52.6 mt -77.84 95.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -97.19 172.58 7.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.84 -49.18 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.79 51.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 58' ' ' GLY . 4.2 t-160 -174.29 128.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.577 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.004 HD22 ' CD1' ' A' ' 83' ' ' LEU . 20.1 tp -120.18 107.27 12.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -113.19 119.25 37.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 69.1 t -128.7 158.52 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 161.45 -179.95 36.54 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 25' ' ' PHE . 92.5 mt -105.19 133.51 49.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -44.62 125.89 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.12 -28.65 5.99 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -90.41 169.59 11.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 142.49 28.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.4 Cg_endo -74.96 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.527 1.803 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.57 HG13 ' ND2' ' A' ' 9' ' ' ASN . 11.9 t -56.06 -32.71 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.917 HG12 ' O ' ' A' ' 45' ' ' LEU . 40.0 t -116.91 136.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -174.51 96.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -178.71 164.84 33.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.63 119.0 19.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.611 HD13 HG21 ' A' ' 64' ' ' VAL . 17.3 mt -51.44 168.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 15.8 t80 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 63' ' ' GLU . 12.9 t-20 -178.76 161.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 57.7 mt-10 -50.91 150.97 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 42' ' ' ARG . 12.9 m -148.81 136.22 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -59.17 105.72 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.7 m -80.43 -35.2 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -56.92 -29.58 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -105.29 29.04 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.802 ' CB ' HG21 ' A' ' 40' ' ' ILE . 6.3 p -90.71 176.4 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.78 169.02 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CD1' HG11 ' A' ' 38' ' ' VAL . 61.0 p-90 -168.48 156.1 7.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 108.048 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.07 174.48 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.9 HD11 HG21 ' A' ' 36' ' ' VAL . 44.1 mt -113.56 109.75 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -85.29 141.34 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.19 23.15 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 51.04 44.24 50.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 31' ' ' LEU . 15.8 pttt -163.91 -54.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG23 ' HG3' ' A' ' 77' ' ' LYS . 39.1 t -71.11 130.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.32 116.47 44.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -107.0 138.18 43.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.453 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.828 HG11 HD11 ' A' ' 45' ' ' LEU . 54.1 t -120.51 143.38 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.53 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 65.0 t60 -115.75 109.5 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.004 ' CD1' HD22 ' A' ' 45' ' ' LEU . 17.4 mt -102.7 149.35 24.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.74 130.78 49.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -73.64 156.75 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mm -81.85 -31.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -101.7 -40.55 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.582 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.49 47.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 89' ' ' MET . 2.5 ppp? -168.19 45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -150.48 135.19 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -87.82 132.15 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.606 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 33.5 m0 -93.93 141.13 28.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.56 -2.72 35.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.14 148.96 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.693 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -66.56 -54.3 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.693 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -125.27 148.56 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 75.3 p -72.53 -32.16 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 p -127.63 107.98 10.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.87 162.0 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -143.68 -89.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.602 HG22 ' H ' ' A' ' 103' ' ' ASN . 7.5 mt -87.5 173.46 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 104' ' ' THR . 5.5 m-80 -132.38 29.52 4.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 103' ' ' ASN . 9.2 t 47.46 -170.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 104' ' ' THR . 2.0 ptpt -94.79 179.87 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.74 167.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.9 mp -40.7 -85.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -60.01 130.55 88.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -64.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.23 115.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -124.74 60.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.42 27.83 8.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -114.37 179.23 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.06 108.83 10.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.0 p -43.64 107.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -170.65 82.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.9 mt -148.49 179.62 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -168.24 123.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.67 125.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 121' ' ' THR . 0.2 OUTLIER -126.78 -145.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 13.3 t -173.71 168.08 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.64 117.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.07 172.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -130.71 169.1 16.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 125' ' ' VAL . 12.3 p -154.18 116.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.4 p -100.94 157.64 16.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -120.6 98.16 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.81 9.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.55 175.64 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 72.8 m -146.12 173.01 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -154.06 143.33 21.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t -89.92 154.19 20.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.79 120.71 1.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.06 73.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 55.77 101.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.054 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.02 160.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -29.54 46.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.41 ' CD1' HG12 ' A' ' 55' ' ' VAL . 36.0 p90 -143.04 162.42 35.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.601 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -106.68 143.54 34.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 12.3 p-90 -151.25 132.13 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.4 p -137.71 -164.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -178.64 161.99 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.476 HG23 ' OE2' ' A' ' 18' ' ' GLU . 22.6 p -122.37 35.5 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt 61.04 15.75 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.17 -53.46 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' OE2' HG23 ' A' ' 15' ' ' THR . 0.7 OUTLIER -114.99 159.47 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD12 ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -118.83 128.49 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -112.3 130.25 56.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.97 144.31 47.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -145.43 138.52 26.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.73 HG12 ' CE1' ' A' ' 25' ' ' PHE . 60.4 t -135.19 102.77 10.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.98 142.86 28.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CE1' HG12 ' A' ' 23' ' ' VAL . 20.9 m-30 -125.74 148.83 48.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 87.34 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HD11 ' A' ' 31' ' ' LEU . 5.1 m -132.58 163.97 36.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.0 9.59 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -136.67 -177.46 4.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.52 99.26 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.543 HD11 HG11 ' A' ' 27' ' ' VAL . 13.5 mt -57.72 140.0 52.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 15.6 mttt -101.54 -171.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 26.39 22.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -119.63 -37.4 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 0.805 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.21 35.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.537 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -146.98 165.87 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.537 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 97.7 t -136.3 96.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 ' CG ' ' A' ' 71' ' ' TRP . 44.5 t -116.53 99.6 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.53 110.71 23.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 HG21 ' CB ' ' A' ' 69' ' ' SER . 78.3 mt -104.63 93.41 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -94.23 170.67 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -57.5 -50.61 72.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.72 51.94 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -172.76 137.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.2 tp -127.49 140.41 52.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 36.7 ttp180 -144.36 107.9 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 78.2 t -121.15 149.37 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.33 166.34 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 57.0 mt -84.24 139.55 32.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.63 126.44 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.67 -41.4 2.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.75 168.21 13.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.0 136.39 20.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.95 110.02 3.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 10' ' ' TYR . 13.6 t -56.14 -36.84 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' C ' ' OD1' ' A' ' 57' ' ' ASP . 20.9 t -113.51 130.29 67.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -172.31 105.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.58 172.75 42.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -84.25 119.61 25.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 35.5 mt -58.87 166.32 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 5.0 t80 -67.41 -36.54 81.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -151.67 -177.89 6.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.9 152.78 38.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 85' ' ' LYS . 6.6 m -143.34 133.26 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.8 tttt -55.95 103.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.1 m -79.56 -22.38 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -22.91 61.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.48 -3.95 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.5 m -77.18 139.91 40.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.0 p -147.12 140.51 25.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.762 ' CG ' HG11 ' A' ' 38' ' ' VAL . 50.5 p-90 -125.99 160.03 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -154.95 173.66 16.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.849 HG12 HG22 ' A' ' 79' ' ' VAL . 30.2 mt -116.14 105.99 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.69 134.2 44.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 48.31 24.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.662 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.58 47.73 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.667 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.0 ptmt -137.97 -46.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 0.762 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.96 141.61 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.849 HG22 HG12 ' A' ' 73' ' ' ILE . 2.5 t -93.16 114.11 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -96.8 133.99 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.558 ' HB ' HD12 ' A' ' 21' ' ' LEU . 87.4 t -122.02 133.51 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 69.7 t60 -119.52 105.16 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.33 132.86 36.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -103.97 103.81 13.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HA ' HG12 ' A' ' 64' ' ' VAL . 92.3 mttt -50.85 155.69 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.9 mm -75.02 -64.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 74.8 m-20 -89.81 -15.35 32.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER 47.36 25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.402 ' N ' ' C ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -125.47 47.64 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -155.45 143.99 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.1 t-105 -98.52 137.51 37.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.51 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 20.3 m0 -99.73 143.32 30.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -108.86 -0.7 19.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.533 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -169.85 127.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.729 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.7 tm? -43.26 -54.89 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.729 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.3 m -129.08 152.75 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.533 HG22 ' NE ' ' A' ' 94' ' ' ARG . 43.0 p -75.96 -29.57 58.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -123.67 84.58 2.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 102' ' ' ILE . 46.0 p-10 -65.11 140.59 98.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -60.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 102' ' ' ILE . 17.4 pt-20 -38.4 -50.76 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 103' ' ' ASN . 46.3 mt 64.37 166.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.498 ' N ' HG22 ' A' ' 102' ' ' ILE . 1.3 t-20 -48.52 -56.51 8.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 104' ' ' THR . 17.6 p -71.07 126.95 30.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.05 -177.4 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 107' ' ' ILE . 8.8 tttt -51.38 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -33.27 -80.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -128.61 137.81 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.11 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 70.36 109.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.4 173.3 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 91.33 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.58 176.03 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.6 109.88 6.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 m -119.49 85.79 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.73 88.87 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.45 155.53 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.25 152.92 22.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.7 t -174.56 120.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -167.72 124.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 t -140.78 167.15 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.68 14.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 t -152.07 173.55 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.22 112.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 125' ' ' VAL . 6.2 p -140.45 101.57 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 147.37 51.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -168.58 97.24 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -173.61 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 54.1 p -172.46 169.93 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t -177.92 170.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -67.37 148.78 51.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -131.57 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.56 -145.23 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -98.44 -171.96 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 p -141.49 168.8 18.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.24 147.95 10.75 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.632 ' ND2' HG23 ' A' ' 104' ' ' THR . 1.4 t-20 -153.08 -46.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.638 ' HB2' HG22 ' A' ' 23' ' ' VAL . 26.9 p90 -77.68 158.76 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' HD12 ' A' ' 21' ' ' LEU . 47.4 mtp85 -100.51 138.25 37.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 44.4 p-90 -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.541 ' O ' HD23 ' A' ' 19' ' ' LEU . 48.6 p -122.57 -165.18 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 179.94 171.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -143.59 41.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mt 58.59 17.01 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.59 -69.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -95.37 155.68 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -121.42 121.25 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CB ' ' OG1' ' A' ' 13' ' ' THR . 0.5 OUTLIER -99.59 144.75 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 22' ' ' ALA . 15.1 tp -146.82 136.52 23.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.28 117.89 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.3 t -119.0 105.16 45.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.12 42.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.8 m-85 -135.65 162.12 33.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.98 98.17 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.024 HG21 HD21 ' A' ' 31' ' ' LEU . 1.5 m -141.55 165.88 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.44 12.76 22.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.967 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -137.33 175.51 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 128.26 34.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.024 HD21 HG21 ' A' ' 27' ' ' VAL . 3.9 mm? -68.11 128.43 36.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 1.032 ' O ' HG23 ' A' ' 36' ' ' VAL . 10.4 mttt -100.62 150.59 22.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.86 -18.05 70.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 -1.4 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.89 -4.9 11.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 32' ' ' LYS . 29.3 t -101.73 168.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.5 t -146.07 118.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 40' ' ' ILE . 43.1 t -139.62 105.82 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -99.55 96.7 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.901 HG21 ' CB ' ' A' ' 69' ' ' SER . 49.3 mt -93.5 96.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 12.3 mm-40 -101.78 177.1 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -60.34 -53.2 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.72 49.97 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -166.02 129.38 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 83' ' ' LEU . 18.7 tp -119.93 148.33 43.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.24 112.14 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 90.1 t -122.62 160.88 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 148.2 162.67 10.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.936 HD21 ' CE2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -84.38 131.95 34.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -40.09 130.44 2.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.23 -41.54 3.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.59 167.06 38.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.02 133.92 17.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.02 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 t -55.62 -32.39 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -115.15 134.84 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.39 81.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.01 166.23 33.45 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.18 112.9 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 45' ' ' LEU . 51.6 mt -46.82 165.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 61' ' ' TYR . 5.5 t80 -73.06 -26.71 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -159.18 172.49 17.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.79 155.2 38.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 42' ' ' ARG . 13.7 m -149.81 137.1 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' GLU . 12.0 tttt -62.3 108.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.2 m -78.97 -37.86 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.91 -20.25 15.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -115.8 25.81 10.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.901 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.3 m -104.55 161.78 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.5 p -162.55 -179.42 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -167.24 153.62 8.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.603 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -154.17 176.32 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' ' 31' ' ' LEU . 3.5 mt -112.19 126.12 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -94.91 144.75 25.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.5 22.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 47.93 52.91 15.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.887 ' HA ' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -171.86 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.336 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG23 ' CD ' ' A' ' 77' ' ' LYS . 99.6 t -90.69 143.74 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.481 HG21 ' HE2' ' A' ' 25' ' ' PHE . 11.4 t -101.07 138.34 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -132.91 140.21 47.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.1 t -124.56 153.34 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -129.58 107.81 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.767 HD11 HD22 ' A' ' 45' ' ' LEU . 40.5 mt -104.45 154.9 19.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -129.98 132.08 46.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -75.95 151.93 37.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.8 mm -76.26 -48.74 27.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.35 -39.58 13.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.79 49.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.4 ' O ' ' SD ' ' A' ' 89' ' ' MET . 1.9 ppp? -161.05 26.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -132.02 137.8 47.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -91.36 134.79 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 107.95 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.442 ' CZ3' HD13 ' A' ' 19' ' ' LEU . 34.9 m0 -95.9 141.66 29.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -98.66 -3.95 34.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.763 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -173.42 150.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 96' ' ' VAL . 1.8 tm? -63.51 -56.76 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -127.49 152.35 35.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.763 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 40.6 p -74.55 -31.19 62.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.61 119.63 15.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -85.02 158.81 58.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 101' ' ' GLU . 7.3 pt-20 -149.77 106.11 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.3 pt -71.7 149.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -107.65 -30.45 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.632 HG23 ' ND2' ' A' ' 9' ' ' ASN . 73.8 p -78.72 174.82 11.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -152.12 163.57 39.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.19 146.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.5 mt -62.65 -80.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -161.88 151.06 13.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -41.38 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -123.89 -137.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 166.88 168.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.5 p -129.14 92.55 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 133.09 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.51 75.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.0 77.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.93 90.96 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.12 -178.18 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -60.73 128.43 36.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.02 100.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.26 97.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.8 t -67.7 161.64 25.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.11 147.49 32.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.28 140.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -153.81 143.0 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 126' ' ' SER . 14.4 m -128.53 -147.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 125' ' ' VAL . 0.3 OUTLIER -177.07 170.05 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -153.21 96.07 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.66 9.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.31 167.2 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.6 t -162.93 169.84 19.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 69.8 -61.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.969 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.24 125.37 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.05 -80.39 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 161.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 110.045 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.58 121.1 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.4 141.47 3.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 18.5 Cg_endo -74.94 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 108' ' ' ASN . 2.0 m-20 -110.45 36.54 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 18.3 p90 -156.4 169.61 24.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 21' ' ' LEU . 6.3 mtt180 -103.93 144.6 31.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 43.6 p-90 -153.93 128.03 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 p -126.07 -160.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 174.19 170.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -128.99 34.03 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 1.0 OUTLIER 65.85 11.69 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.77 -56.15 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.85 156.13 19.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.742 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -115.82 130.82 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 3.3 m-20 -113.6 146.19 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 11' ' ' ARG . 14.2 tp -149.98 141.88 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.7 117.0 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 10' ' ' TYR . 28.1 t -117.04 104.17 51.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 151.88 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.751 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.2 m-85 -133.96 145.44 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.44 91.86 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.13 166.07 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.1 0.44 13.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -120.18 169.3 10.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -88.77 108.45 19.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.69 127.78 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -93.22 175.74 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.75 -12.56 80.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HG2' ' CG ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -105.23 11.25 33.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.21 -11.99 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -117.72 167.22 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.2 t -134.75 97.11 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG11 ' CG ' ' A' ' 71' ' ' TRP . 13.6 t -111.38 100.66 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.092 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -101.73 101.51 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 69' ' ' SER . 71.0 mt -98.3 98.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.427 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -99.22 175.43 5.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.59 -52.23 65.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.1 52.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.94 136.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.578 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB2' HD11 ' A' ' 60' ' ' LEU . 20.2 tp -130.68 116.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -120.16 116.02 24.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 65.8 t -129.73 149.33 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 156.6 154.63 7.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.4 mm? -76.78 127.98 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' LEU . 5.0 tttt -38.19 129.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.22 -39.61 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -77.02 167.5 36.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 134.13 17.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.4 Cg_endo -74.99 119.32 5.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.22 -31.93 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 45' ' ' LEU . 18.3 t -119.72 139.08 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' HB3' ' A' ' 100' ' ' PRO . 39.9 t0 179.49 37.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.71 164.59 12.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.89 105.69 4.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 64' ' ' VAL . 63.3 mt -43.67 159.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.528 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 51.1 t80 -50.77 -33.34 22.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.84 -177.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -54.14 145.75 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 60' ' ' LEU . 9.7 m -147.85 134.43 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.91 105.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.45 -36.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -45.22 91.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.18 3.89 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.518 ' HB2' HG21 ' A' ' 40' ' ' ILE . 2.0 p -78.56 162.35 26.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.4 p -167.94 135.28 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.827 ' CG ' HG11 ' A' ' 38' ' ' VAL . 37.2 p-90 -131.33 161.04 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.57 168.81 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.693 HD11 HG11 ' A' ' 36' ' ' VAL . 41.5 mt -109.77 113.09 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -83.59 145.43 28.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.35 30.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 45.14 38.33 6.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -152.77 -50.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 77' ' ' LYS . 54.6 t -78.1 146.29 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.21 114.99 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.8 p -103.59 152.52 21.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG21 HG21 ' A' ' 47' ' ' VAL . 39.1 t -137.19 143.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 10.2 t60 -125.74 101.81 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.608 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.97 143.24 26.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -115.14 122.91 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HE2' ' CE2' ' A' ' 92' ' ' TRP . 87.1 mttt -70.99 137.82 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.4 -49.71 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 88' ' ' LYS . 33.0 m-80 -88.98 -33.22 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 9.8 pttt 44.68 60.15 3.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -156.56 23.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.39 124.61 6.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.498 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -70.08 142.72 52.61 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.742 ' CE3' HD11 ' A' ' 19' ' ' LEU . 40.2 m0 -91.18 153.4 20.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -119.76 14.66 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.493 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -178.19 124.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.849 HD12 HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -52.17 -50.12 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.849 HG13 HD12 ' A' ' 95' ' ' LEU . 6.3 m -120.23 174.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.493 HG22 ' NE ' ' A' ' 94' ' ' ARG . 69.8 p -117.54 -30.84 5.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 99' ' ' ASP . 58.3 m -119.7 11.3 11.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.768 ' HA ' HG21 ' A' ' 96' ' ' VAL . 0.0 OUTLIER 51.69 172.6 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.454 ' HB3' ' N ' ' A' ' 57' ' ' ASP . 18.3 Cg_endo -74.96 -79.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -143.8 -51.06 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 103' ' ' ASN . 28.6 mt -110.24 162.44 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' N ' HG22 ' A' ' 102' ' ' ILE . 1.1 t-20 -172.8 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p 42.45 -165.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -97.46 50.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.17 117.05 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 8' ' ' PRO . 9.9 mt -81.98 -65.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.446 ' OD1' ' ND2' ' A' ' 9' ' ' ASN . 1.2 t30 -172.17 152.74 2.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.63 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.81 110.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -149.99 96.44 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 t -164.38 169.39 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -100.63 179.47 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.46 109.72 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -120.35 77.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -129.87 90.51 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mt -107.78 172.19 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -170.75 167.06 7.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.45 97.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -124.71 99.78 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.6 t -127.17 164.34 21.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 166.5 140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 p -175.27 166.55 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -169.18 133.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.78 HG13 ' N ' ' A' ' 126' ' ' SER . 3.1 p -129.83 -146.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.78 ' N ' HG13 ' A' ' 125' ' ' VAL . 0.6 OUTLIER 170.93 124.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.76 108.34 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.73 4.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.5 164.75 36.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.94 164.02 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.04 118.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -39.56 115.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.2 86.16 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.21 149.12 11.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m 55.69 168.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.19 -168.44 39.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -53.96 -24.8 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' VAL . 35.0 p90 -166.28 159.91 15.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.38 148.6 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 95' ' ' LEU . 26.4 p-90 -159.06 134.73 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -137.35 -160.85 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 9.3 pm0 179.81 167.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 15' ' ' THR . 9.0 t -131.49 56.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 89' ' ' MET . 0.2 OUTLIER 39.62 34.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -159.82 -69.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -105.46 173.42 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.27 140.34 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 7.7 m-20 -125.73 128.43 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -131.34 143.49 50.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.695 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.41 128.4 17.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 21' ' ' LEU . 21.8 t -127.43 105.08 21.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.77 41.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -132.95 140.66 47.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.08 86.02 6.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 77' ' ' LYS . 4.8 m -128.1 162.88 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.15 7.79 16.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -137.21 168.61 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 114.54 13.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 77' ' ' LYS . 15.7 mt -72.75 132.06 43.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 19.7 mmtt -90.53 -173.67 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.45 13.79 61.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -25.02 7.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -91.48 20.12 5.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -137.83 166.32 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.548 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 57.8 t -134.03 100.47 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.861 HG11 ' CG ' ' A' ' 71' ' ' TRP . 53.8 t -117.38 98.85 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -99.34 112.07 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.823 HG21 ' HB3' ' A' ' 69' ' ' SER . 90.8 mt -106.43 99.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 29.9 mm-40 -103.53 176.06 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -62.89 -51.49 66.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.36 50.66 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.66 133.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.953 HD22 HD11 ' A' ' 83' ' ' LEU . 15.1 tp -130.03 127.21 39.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -129.48 106.27 8.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 HG21 ' A' ' 81' ' ' VAL . 90.9 t -118.98 150.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.4 -174.74 37.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 65.5 mt -106.68 129.98 54.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -39.46 130.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.32 -39.44 2.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -79.78 168.38 26.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 142.4 27.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.98 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.61 -36.57 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.88 126.9 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.24 121.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.57 156.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.85 112.64 7.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.746 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.0 mt -46.91 163.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 82.5 t80 -69.87 -36.32 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -147.89 162.28 39.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 42' ' ' ARG . 67.7 mt-10 -61.65 142.9 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 84' ' ' GLU . 4.3 m -132.18 134.55 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -56.7 104.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 3.1 m -76.98 -36.37 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.95 -38.77 73.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -89.56 -14.78 34.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.823 ' HB3' HG21 ' A' ' 40' ' ' ILE . 36.3 m -64.95 143.85 57.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.4 m -153.34 130.17 10.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.861 ' CG ' HG11 ' A' ' 38' ' ' VAL . 25.2 p-90 -112.76 162.91 15.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.037 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 73' ' ' ILE . 0.2 OUTLIER -155.8 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 72' ' ' LEU . 56.8 mt -123.29 112.79 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.2 mm-40 -93.24 137.11 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.45 12.61 6.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.95 45.93 93.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.73 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -170.98 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' GLU . 57.5 t -82.05 116.52 26.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.2 t -90.9 116.63 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.1 p -104.31 143.46 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.616 ' HB ' HD12 ' A' ' 21' ' ' LEU . 71.8 t -128.27 131.88 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.562 ' CE1' ' OE1' ' A' ' 18' ' ' GLU . 31.2 t60 -115.24 116.79 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.59 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.953 HD11 HD22 ' A' ' 45' ' ' LEU . 79.5 mt -114.28 146.94 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' VAL . 9.8 tm-20 -116.42 112.15 21.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -56.45 124.55 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.5 mm -63.57 -23.72 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 88' ' ' LYS . 7.1 t30 -96.86 -59.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 89' ' ' MET . 7.1 pttt 90.3 128.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 36.3 mtp 76.05 53.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -141.96 96.83 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.017 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.604 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 28.9 m0 -78.34 128.57 33.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 107.985 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -77.06 -12.0 59.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' C ' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -176.82 123.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.701 HD13 ' CE3' ' A' ' 12' ' ' TRP . 16.0 tp -43.05 -55.56 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 m -121.32 163.01 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 39.3 p -92.25 -28.58 16.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.13 99.17 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.02 157.83 78.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -75.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -115.82 -58.89 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.47 155.39 8.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -100.82 -42.57 6.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 105' ' ' LYS . 3.4 t -164.89 -167.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 104' ' ' THR . 16.8 ttmm -116.93 153.65 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 111.72 10.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.3 mm -95.12 -70.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -79.96 156.27 74.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 111' ' ' ASN . 0.1 OUTLIER -125.4 -139.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.461 ' N ' ' CG ' ' A' ' 110' ' ' GLU . 2.2 t-20 172.04 145.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.8 m -148.11 76.3 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -146.52 178.57 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.08 110.03 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.56 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.6 89.34 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tp -107.48 122.2 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -171.46 122.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.87 97.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -129.51 -147.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.7 t -171.79 169.46 5.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.09 124.4 41.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.5 p 179.84 171.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.86 152.73 20.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 126' ' ' SER . 1.9 t -125.57 -141.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 125' ' ' VAL . 11.5 p 176.66 123.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -163.55 106.63 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.31 3.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.99 173.09 11.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.57 155.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.18 -59.83 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.801 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -86.35 -58.5 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.47 176.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -173.8 164.67 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.736 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.67 158.81 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.07 -148.94 1.29 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.8 -19.36 40.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -135.18 159.59 41.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -98.59 138.25 36.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 48.4 p-90 -154.14 130.74 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.607 ' O ' HD23 ' A' ' 19' ' ' LEU . 6.6 p -130.26 -153.28 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' OE1' HD21 ' A' ' 19' ' ' LEU . 7.0 pt20 173.2 -175.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 17' ' ' ALA . 1.5 t -155.83 53.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 44.23 26.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -151.09 -77.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 157.55 16.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -113.08 134.26 54.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.67 143.89 41.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.724 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.1 tp -151.24 140.98 21.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.724 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -143.75 115.63 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -113.87 105.64 54.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 153.42 41.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.984 ' CD2' HD11 ' A' ' 49' ' ' LEU . 14.2 m-85 -138.2 147.19 43.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.34 76.93 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.46 163.48 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.04 13.37 18.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -138.58 179.6 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -97.88 105.26 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 77' ' ' LYS . 7.6 mt -55.71 126.07 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.16 -47.54 8.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.64 -13.26 4.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -87.1 -10.21 53.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.37 3.69 20.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.785 HG22 ' CD2' ' A' ' 49' ' ' LEU . 35.5 t -112.79 165.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.616 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -141.18 127.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.749 ' HA ' HG22 ' A' ' 47' ' ' VAL . 75.8 t -146.35 92.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -88.33 99.53 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.758 HG21 ' HB3' ' A' ' 69' ' ' SER . 94.3 mt -93.8 89.98 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.77 167.81 11.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -54.65 -46.43 73.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.6 50.89 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -172.68 133.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 39' ' ' ASP . 36.0 tp -135.09 112.3 10.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.3 ttm180 -119.03 115.93 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' ' 38' ' ' VAL . 92.7 t -134.33 120.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.624 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -164.5 92.75 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 25' ' ' PHE . 61.9 mt -20.22 114.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -37.09 117.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.93 -27.1 21.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -99.93 170.17 7.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.0 137.64 21.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 113.33 3.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.56 -33.27 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 21' ' ' LEU . 8.7 t -112.43 108.65 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -152.53 110.85 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.02 174.59 37.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -87.46 118.03 26.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 HG21 ' A' ' 64' ' ' VAL . 47.7 mt -51.17 167.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.478 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 6.0 t80 -65.21 -32.27 73.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -167.32 -174.06 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.81 142.31 56.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.9 m -137.92 133.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' GLU . 13.3 tttt -56.96 99.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 m -75.5 -30.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -17.85 55.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.97 -4.32 16.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.758 ' HB3' HG21 ' A' ' 40' ' ' ILE . 14.3 m -79.9 155.04 27.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.3 p -167.71 140.99 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -119.48 162.13 19.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -158.2 156.55 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 31' ' ' LEU . 5.2 mt -92.64 125.54 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.6 OUTLIER -103.21 137.87 40.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.52 15.68 5.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.11 43.88 93.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.916 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -168.24 -45.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 24' ' ' PRO . 75.1 t -81.52 151.45 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.5 t -116.72 134.33 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.6 p -122.2 139.35 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.4 146.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -130.54 101.94 5.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.76 150.77 21.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' LYS . 1.4 mt-10 -127.62 125.87 41.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 31.4 mttt -70.13 153.69 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.3 mm -79.12 -31.94 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -96.2 -48.23 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 66.89 61.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.24 -42.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 152.89 44.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -103.12 124.13 47.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 18.4 m0 -78.13 143.09 37.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -106.97 1.86 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.28 153.45 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.509 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.3 tm? -66.18 -56.66 10.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.509 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.6 m -120.96 148.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.461 HG22 ' CZ ' ' A' ' 94' ' ' ARG . 41.4 p -72.55 -30.93 64.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 p -117.41 94.19 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.407 ' CB ' ' HB2' ' A' ' 103' ' ' ASN . 4.4 p30 -65.46 139.98 97.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -89.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -102.55 -38.59 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.0 mt -119.03 160.72 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.592 HD22 HG23 ' A' ' 104' ' ' THR . 52.8 t30 -152.49 -62.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.592 HG23 HD22 ' A' ' 103' ' ' ASN . 44.8 p -119.01 147.38 44.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.42 138.22 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.15 145.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.2 mp -48.01 -64.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -139.2 140.63 26.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -69.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -157.76 106.8 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -139.87 162.74 34.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 m -136.84 98.45 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 175.18 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -114.81 96.78 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.99 81.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.8 67.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.956 ' O ' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -79.08 155.79 28.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.744 ' N ' HD22 ' A' ' 117' ' ' LEU . 37.9 t70 -124.98 140.87 52.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.74 123.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.16 103.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.445 ' O ' ' CG ' ' A' ' 122' ' ' ARG . 8.8 t -124.72 153.94 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 121' ' ' THR . 0.5 OUTLIER -177.89 164.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.98 163.5 28.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.0 130.16 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.88 122.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.7 t -163.05 152.41 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -178.64 154.97 15.35 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.2 p -155.69 168.56 26.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.5 p -155.67 164.07 39.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -115.41 142.08 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -68.66 168.52 12.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.73 176.11 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.31 170.95 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.776 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.79 107.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 173.24 12.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.534 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.01 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -103.55 37.48 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.639 ' HB2' HG22 ' A' ' 23' ' ' VAL . 20.2 p90 -161.71 165.29 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' HD22 ' A' ' 21' ' ' LEU . 3.7 ptp180 -102.51 142.96 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.7 p-90 -149.28 138.21 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p -139.39 172.79 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 16.2 pt20 -163.29 152.98 15.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.406 ' C ' ' N ' ' A' ' 17' ' ' ALA . 4.3 t -125.47 58.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.28 29.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -156.46 -77.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.24 160.94 13.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -120.09 127.76 52.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -106.81 130.74 54.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.783 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -134.53 142.4 47.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -144.9 126.95 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 21' ' ' LEU . 21.4 t -130.21 103.27 16.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.96 154.94 43.04 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -134.14 167.89 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -98.11 89.86 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 m -133.0 169.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.59 7.09 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -139.91 174.43 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.74 99.75 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.4 140.4 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 5.9 mmtt -91.06 171.71 9.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.12 28.79 6.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.99 -42.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -63.15 -11.49 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -108.37 166.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.526 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 72.8 t -134.7 104.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.689 HG11 ' CG ' ' A' ' 71' ' ' TRP . 46.7 t -120.37 101.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 112.63 24.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.675 HG21 ' CB ' ' A' ' 69' ' ' SER . 83.8 mt -113.2 100.06 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.521 ' C ' HG12 ' A' ' 66' ' ' VAL . 11.2 mm-40 -101.27 174.74 5.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.73 -57.16 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -129.72 54.2 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.359 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -173.97 119.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.646 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.924 HD22 HD11 ' A' ' 83' ' ' LEU . 60.1 tp -108.45 163.03 13.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 6.2 ttm180 -170.14 127.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 38' ' ' VAL . 53.6 t -141.94 147.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 166.21 172.65 33.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 79.7 mt -95.65 130.78 42.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.0 tttm -40.14 127.48 2.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.97 -36.95 3.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -80.95 169.03 20.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.2 Cg_endo -74.97 139.07 23.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 18.3 Cg_endo -75.06 108.89 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 t -54.33 -35.14 29.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 31.9 t -115.51 142.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 t70 175.53 100.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.75 155.23 13.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.557 ' O ' HG23 ' A' ' 97' ' ' THR . 21.6 tt0 -64.26 141.02 58.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -74.97 145.96 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.619 ' HA ' HG22 ' A' ' 97' ' ' THR . 7.9 t80 -64.54 -8.84 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.6 t30 -167.51 124.57 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.516 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 71.9 mt-10 -34.13 116.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.8 m -103.28 139.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -70.2 108.03 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.521 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -67.91 -34.05 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.92 -44.67 94.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -82.48 8.38 11.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.675 ' CB ' HG21 ' A' ' 40' ' ' ILE . 1.9 p -89.69 152.79 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.8 m -167.45 132.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.689 ' CG ' HG11 ' A' ' 38' ' ' VAL . 30.2 p-90 -123.59 157.48 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.82 161.81 38.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 36' ' ' VAL . 4.0 mt -104.93 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER -68.44 128.37 36.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 48.33 23.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.58 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.04 37.67 7.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.841 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.8 pttp -126.19 -38.16 2.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.841 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -125.6 150.45 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.5 t -100.92 121.04 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.1 p -107.47 139.03 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.528 ' HB ' HD12 ' A' ' 21' ' ' LEU . 52.2 t -126.71 140.71 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.513 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 1.3 t60 -121.18 95.55 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.924 HD11 HD22 ' A' ' 45' ' ' LEU . 16.4 mt -87.86 162.0 17.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.513 ' OE1' ' CE1' ' A' ' 82' ' ' HIS . 1.0 OUTLIER -137.81 131.35 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 15.1 mttt -79.69 127.32 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.5 mm -55.05 -22.05 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -137.95 105.56 5.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -85.53 60.59 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmm -134.79 -44.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -80.44 174.76 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.564 ' CE2' ' O ' ' A' ' 92' ' ' TRP . 1.2 t-105 -120.12 131.88 55.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' O ' ' CE2' ' A' ' 91' ' ' TRP . 13.6 m0 -76.01 149.07 37.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 108.023 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 9.0 t-20 -100.5 -8.42 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -168.48 -160.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.014 HD13 HG13 ' A' ' 96' ' ' VAL . 3.3 tm? -97.02 -52.05 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.014 HG13 HD13 ' A' ' 95' ' ' LEU . 3.1 m -130.84 140.36 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 61' ' ' TYR . 69.0 p -47.02 -34.03 5.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 p -140.35 130.67 25.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -59.27 154.33 42.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -68.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.04 -73.41 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 mt -108.6 159.74 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -113.91 -52.75 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.4 p -125.39 -176.64 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.8 tttt 44.23 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -58.33 177.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 47.4 mm -98.17 -64.39 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -76.14 155.84 84.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.44 117.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.85 99.48 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.23 167.41 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.14 152.42 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.14 23.78 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 78.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.2 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.28 175.07 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.1 168.8 10.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.9 p -141.85 102.69 4.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.08 99.46 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -103.15 158.66 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.84 173.26 10.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 167.23 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.41 164.19 24.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.708 HG13 ' N ' ' A' ' 126' ' ' SER . 2.3 p -122.51 -152.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.708 ' N ' HG13 ' A' ' 125' ' ' VAL . 87.3 p 179.4 142.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.64 135.92 8.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -177.27 3.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.2 p -145.45 163.99 32.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.13 144.51 38.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -87.42 162.91 17.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.68 -58.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.79 124.25 2.12 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -148.64 158.04 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.78 148.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.11 169.09 14.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.5 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -142.73 -46.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HB2' HG22 ' A' ' 23' ' ' VAL . 36.8 p90 -76.79 158.7 30.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.586 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.5 ptp180 -98.47 152.71 19.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.416 ' CZ3' HD21 ' A' ' 19' ' ' LEU . 52.0 p-90 -167.65 149.97 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -138.32 -169.1 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.1 pt20 -179.29 155.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 17' ' ' ALA . 2.8 t -124.52 59.59 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 40.45 29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -162.58 -69.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -95.22 160.83 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -127.6 138.07 52.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -122.71 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.797 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -135.89 144.01 45.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -145.52 130.26 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 10' ' ' TYR . 46.8 t -131.91 102.19 14.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.94 149.06 36.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CG ' HD11 ' A' ' 49' ' ' LEU . 16.6 m-85 -130.56 139.06 50.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.92 80.91 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.16 165.69 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.78 10.67 19.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -140.74 172.0 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.48 92.62 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 49' ' ' LEU . 8.4 mt -41.9 126.65 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' O ' HG12 ' A' ' 36' ' ' VAL . 17.4 mttt -87.66 167.33 13.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.41 2.92 56.04 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 3.7 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.88 5.68 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.864 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -127.99 166.68 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 94.3 t -136.8 101.05 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 HG22 ' A' ' 47' ' ' VAL . 54.7 t -119.86 103.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.41 77.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.5 ' CD1' HG13 ' A' ' 81' ' ' VAL . 18.1 mt -68.31 106.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HG2' ' N ' ' A' ' 44' ' ' HIS . 14.9 tt0 -91.87 157.13 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -55.52 -49.82 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -117.03 31.09 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 5.3 t-80 -168.06 160.23 11.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.624 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.973 HD21 HG23 ' A' ' 47' ' ' VAL . 2.1 tt -143.69 130.28 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.889 ' N ' HD23 ' A' ' 45' ' ' LEU . 15.1 ttm105 -132.01 105.45 7.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.973 HG23 HD21 ' A' ' 45' ' ' LEU . 37.7 t -125.13 147.66 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 167.51 -172.85 42.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 31' ' ' LEU . 90.3 mt -106.91 130.1 54.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -39.37 126.39 1.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -40.3 3.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -76.99 169.32 21.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.1 Cg_endo -75.06 140.52 25.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.472 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.07 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 23' ' ' VAL . 23.4 t -54.91 -39.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.5 ' CG1' HD22 ' A' ' 45' ' ' LEU . 6.2 t -107.59 126.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.87 104.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . . . 170.06 142.74 3.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.5 tt0 -50.36 122.06 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.766 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CG2' ' A' ' 64' ' ' VAL . 42.5 mt -58.38 157.23 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 43.2 t80 -65.53 -36.51 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -154.03 150.31 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.46 136.06 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.533 ' CG2' HD13 ' A' ' 60' ' ' LEU . 6.6 m -128.86 141.51 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -67.12 93.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.2 m -69.67 -37.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.09 -22.16 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -106.16 -22.56 12.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 m -54.37 147.44 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.4 p -152.09 138.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.605 ' CG ' HG11 ' A' ' 38' ' ' VAL . 51.5 p-90 -125.47 168.56 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -174.89 153.53 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.864 HD11 HG11 ' A' ' 36' ' ' VAL . 4.2 mt -93.79 106.7 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -69.09 134.73 49.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.452 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 0.5 OUTLIER 45.39 25.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.22 51.57 11.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.572 ' HG3' HG13 ' A' ' 78' ' ' VAL . 1.3 pttt -144.69 -49.88 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.572 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -113.72 148.05 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 73' ' ' ILE . 3.0 t -100.26 127.79 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 2.6 p -110.93 144.93 39.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 21' ' ' LEU . 79.9 t -132.14 134.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -115.32 104.18 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -90.04 157.87 17.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -131.81 106.37 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 19' ' ' LEU . 97.5 mttt -56.9 141.68 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -72.47 -48.04 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 88' ' ' LYS . 5.7 m120 -93.97 -19.54 20.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 33.75 56.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.21 33.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.78 130.8 11.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 14' ' ' GLN . 28.8 t-105 -63.27 162.01 12.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 61' ' ' TYR . 5.5 m0 -122.42 121.2 36.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 38.1 t30 -80.51 -1.74 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER 176.99 149.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -54.16 -51.1 65.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 58' ' ' GLY . 3.6 m -102.64 -121.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.517 HG23 ' C ' ' A' ' 96' ' ' VAL . 35.7 p -157.09 -39.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.22 107.0 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -42.5 145.54 0.82 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -128.53 -43.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 103' ' ' ASN . 67.6 mt 56.97 166.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.512 ' N ' HG22 ' A' ' 102' ' ' ILE . 10.2 t30 -119.08 -48.14 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.4 t -155.87 -164.78 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -119.0 131.67 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.1 OUTLIER -152.96 80.51 1.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -34.61 -85.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -171.98 159.6 4.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.44 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 63.38 110.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -156.5 90.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.56 168.91 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -115.62 179.51 3.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.66 108.41 8.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m -113.67 79.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.71 90.2 2.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.6 pp -96.38 152.84 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.81 163.07 39.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.59 123.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 121' ' ' THR . 1.2 pt-20 -126.7 -145.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.424 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 12.9 t -173.41 166.77 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.426 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -157.96 165.36 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.97 170.92 15.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.42 145.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 126' ' ' SER . 2.4 p -111.41 -147.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.791 ' N ' HG13 ' A' ' 125' ' ' VAL . 1.2 t -179.26 153.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -132.81 97.55 0.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -177.32 3.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.71 165.46 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.3 p -160.73 172.19 17.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -175.75 -58.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 127.2 55.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -76.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.74 131.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.42 115.92 6.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.36 -172.28 22.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.3 Cg_endo -74.94 -163.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.547 1.814 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.501 ' ND2' HD22 ' A' ' 103' ' ' ASN . 2.7 m-80 -105.52 33.41 3.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 19.8 p90 -156.52 166.13 34.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -102.45 143.34 32.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 95' ' ' LEU . 37.8 p-90 -156.85 156.67 33.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -147.15 -162.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 19' ' ' LEU . 18.0 pt20 172.32 175.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -142.65 37.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 5.8 mt 63.91 13.88 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -141.64 -61.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -107.22 158.03 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.613 ' CD1' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -124.64 121.07 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.07 139.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD12 ' H ' ' A' ' 22' ' ' ALA . 9.8 tp -142.43 144.42 33.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.82 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.07 123.93 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -121.79 104.83 38.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HA ' HG22 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.07 143.51 28.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.8 m-85 -123.51 139.81 53.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 92.77 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.057 HG21 HD21 ' A' ' 31' ' ' LEU . 2.8 m -140.03 172.37 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 8.63 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -131.69 169.52 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 135.67 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.057 HD21 HG21 ' A' ' 27' ' ' VAL . 1.7 mm? -81.38 121.24 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 36' ' ' VAL . 11.2 mttp -89.36 159.01 17.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.7 -6.67 51.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.49 18.02 15.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.74 8.49 8.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.19 167.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.549 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 88.7 t -131.71 98.82 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.769 HG11 ' CG ' ' A' ' 71' ' ' TRP . 34.3 t -118.63 99.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.75 111.2 23.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.79 HG22 HG13 ' A' ' 66' ' ' VAL . 56.4 mt -102.29 114.38 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -113.56 -173.77 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.54 -49.12 61.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 3.0 ttt-85 -139.05 52.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -167.14 135.89 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD22 HD11 ' A' ' 83' ' ' LEU . 14.6 tp -126.38 135.73 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 2.2 ttt180 -140.37 105.7 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 93.1 t -115.96 155.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 158.22 165.59 15.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' OE1' ' A' ' 52' ' ' GLN . 12.5 mt -90.8 135.56 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.96 128.48 11.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.79 -41.78 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.754 ' OE1' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.74 167.88 24.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 144.69 30.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -74.97 112.88 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 t -56.84 -35.64 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG22 ' CE2' ' A' ' 10' ' ' TYR . 46.9 t -112.16 133.81 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -176.43 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -178.69 161.86 28.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 97' ' ' THR . 42.5 tt0 -78.93 107.54 11.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.0 mt -43.0 161.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' CG ' ' HB3' ' A' ' 92' ' ' TRP . 5.3 t80 -80.28 -30.55 38.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.471 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . 24.8 t30 -139.18 135.75 34.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG3' ' CD ' ' A' ' 43' ' ' ARG . 4.5 mp0 -46.06 162.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.8 m -148.6 146.24 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -73.91 115.03 12.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.79 HG13 HG22 ' A' ' 40' ' ' ILE . 1.4 t -71.8 -64.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -41.37 -28.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 66' ' ' VAL . 1.6 mm-40 -106.23 45.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 66' ' ' VAL . 19.1 m -143.3 146.67 33.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.5 p -151.7 177.69 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.769 ' CG ' HG11 ' A' ' 38' ' ' VAL . 54.8 p-90 -154.0 157.98 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 108.003 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 163.25 39.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.523 HD11 HG11 ' A' ' 36' ' ' VAL . 4.1 mt -101.65 127.94 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.5 OUTLIER -100.29 136.86 39.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.254 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.6 19.05 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 52.22 45.71 57.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.76 ' HA ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -161.21 -42.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.537 HG23 ' HG3' ' A' ' 77' ' ' LYS . 96.2 t -90.14 138.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.4 109.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 4.3 p -95.4 144.55 25.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 47' ' ' VAL . 59.4 t -131.01 134.49 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -115.55 111.9 21.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.857 HD11 HD22 ' A' ' 45' ' ' LEU . 21.2 mt -107.31 144.26 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.64 122.34 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 19' ' ' LEU . 21.8 mttp -63.5 149.95 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.45 -29.12 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.55 -41.48 6.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.661 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 1.9 mtmp? 65.4 42.88 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.08 26.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.42 128.37 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -99.95 136.85 39.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.613 ' CH2' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -98.77 162.8 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.08 -25.3 16.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -147.36 122.52 10.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.72 HD13 ' CE3' ' A' ' 12' ' ' TRP . 8.1 tp -35.11 -62.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -105.16 151.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' GLU . 38.0 p -68.37 -30.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -154.29 134.82 13.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.031 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.52 164.94 33.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.46 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.4 Cg_endo -74.95 -144.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.46 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 1.4 mt-10 -108.01 -60.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 103' ' ' ASN . 37.6 mt -100.16 162.37 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.501 HD22 ' ND2' ' A' ' 9' ' ' ASN . 25.7 m-20 -133.12 -56.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.0 p -119.32 174.06 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 177.68 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -52.0 173.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 107' ' ' ILE . 4.4 mp -61.74 -63.15 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.89 151.5 4.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 46.87 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -160.4 107.61 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -172.82 166.65 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.83 118.92 2.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.93 172.99 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 114' ' ' LEU . 3.9 tp -101.81 17.72 22.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.75 77.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -124.08 87.93 2.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -103.07 160.38 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -86.25 126.63 34.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 p -107.16 -26.3 11.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -131.78 -143.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.0 t -163.11 169.8 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -87.21 151.07 23.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.58 166.62 24.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.5 mtp -139.22 166.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.0 t -152.03 114.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.4 p -165.83 99.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.39 84.39 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.76 12.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 131.0 49.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.1 p -142.74 170.06 16.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.68 164.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.77 -50.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.61 -59.43 0.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t 62.05 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -143.73 143.68 31.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.59 -152.26 44.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -75.03 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -101.7 43.14 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 23' ' ' VAL . 12.6 p90 -175.75 155.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -84.35 134.71 34.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 39.3 p-90 -146.59 136.64 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 108.049 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' HD23 ' A' ' 19' ' ' LEU . 31.6 p -137.67 -168.1 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 12' ' ' TRP . 13.4 pm0 -179.26 165.71 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -130.66 55.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 47.47 27.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' CA ' ' HD2' ' A' ' 85' ' ' LYS . . . -166.63 -69.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -88.27 152.22 22.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -121.19 125.39 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 1.6 m-20 -109.17 132.62 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -137.12 135.26 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -139.29 129.34 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.66 HG11 HG11 ' A' ' 55' ' ' VAL . 12.0 t -132.07 105.01 13.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 147.73 34.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 49' ' ' LEU . 20.1 m-30 -124.66 169.27 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.73 90.42 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -134.16 169.79 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 3.54 12.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -131.1 175.96 8.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.79 106.37 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.71 130.59 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 11.0 mmmt -104.98 -172.86 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.35 42.4 2.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.49 -42.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.14 35.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.36 166.14 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 54.1 t -138.21 96.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.596 HG11 ' CG ' ' A' ' 71' ' ' TRP . 50.0 t -111.8 101.48 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -93.63 110.56 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.795 HG21 ' CB ' ' A' ' 69' ' ' SER . 53.9 mt -102.84 101.65 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -104.67 179.25 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.2 tpp180 -66.51 -49.14 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -134.49 54.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -174.48 137.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 tp -130.84 120.17 23.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 14.2 ttm180 -122.92 114.39 20.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 57.4 t -122.56 148.07 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 162.32 155.38 7.97 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 25' ' ' PHE . 1.6 mm? -78.72 133.73 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.9 tttt -39.76 134.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.84 -43.64 2.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -71.33 170.42 11.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -75.01 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.03 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.824 HG13 HG23 ' A' ' 56' ' ' VAL . 9.2 p -78.09 1.3 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.824 HG23 HG13 ' A' ' 55' ' ' VAL . 8.8 t -151.9 134.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' A' ' 57' ' ' ASP . 29.9 t0 -175.48 125.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.42 155.73 8.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' LEU . 54.4 tt0 -77.82 106.52 9.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.761 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 46.6 mt -41.62 162.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 92' ' ' TRP . 69.6 t80 -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -163.63 177.78 8.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.48 153.49 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 42' ' ' ARG . 14.0 m -146.88 136.56 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 106.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.431 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.5 m -84.08 -24.82 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -70.03 -36.18 74.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.8 -14.94 30.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.795 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -51.16 157.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.8 p -167.12 129.86 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CG ' HG11 ' A' ' 38' ' ' VAL . 47.0 p-90 -126.15 160.38 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -157.56 -179.57 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.659 HG22 ' HA2' ' A' ' 76' ' ' GLY . 23.0 mt -123.24 109.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -72.26 131.51 42.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.87 22.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.16 56.7 6.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -147.28 -49.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -108.68 141.06 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 73' ' ' ILE . 15.6 t -89.85 115.16 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -101.97 133.03 47.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 21' ' ' LEU . 74.5 t -122.26 144.7 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 18.3 t60 -129.31 113.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.613 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -109.17 149.46 29.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.43 121.4 40.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' HD2' ' CA ' ' A' ' 17' ' ' ALA . 85.4 mttt -60.82 158.31 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.9 mm -92.8 -39.04 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -97.28 -35.12 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 41.55 47.44 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.7 mmt -115.33 -48.08 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.03 -171.0 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -122.54 127.07 49.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.633 ' CE3' HD11 ' A' ' 19' ' ' LEU . 33.8 m0 -62.63 139.19 58.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.421 ' CB ' ' NH1' ' A' ' 94' ' ' ARG . 1.7 m120 -83.92 -13.5 53.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -162.31 -162.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.835 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -96.55 -50.99 4.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.2 m -131.33 138.99 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -51.46 -30.01 18.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.51 135.86 32.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.74 161.38 74.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -120.68 -87.04 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.39 164.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -111.03 -48.28 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.5 p -132.44 126.82 33.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -94.56 160.9 14.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 107' ' ' ILE . 12.4 tttm -80.11 82.31 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -37.52 -86.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -172.65 171.87 1.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 57.96 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 174.24 92.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.2 166.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? 54.86 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.3 mt -124.53 103.39 8.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 58.9 p -67.11 88.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -119.04 85.92 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -61.47 152.5 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -157.53 163.57 38.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.8 116.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.99 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.18 121.27 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 t -162.49 148.14 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -171.42 145.74 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.362 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.57 148.48 17.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.3 ttp -175.15 140.15 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 125' ' ' VAL . 10.3 p -164.83 119.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.05 135.04 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.88 97.89 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.6 2.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -164.62 169.86 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -155.67 167.76 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 p -172.31 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.43 150.56 39.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 -127.12 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.95 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.05 132.2 56.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 151.68 21.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -112.38 34.69 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.6 p90 -165.48 155.06 12.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' HD22 ' A' ' 21' ' ' LEU . 59.2 mtp85 -83.67 139.33 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 28.8 p-90 -148.55 137.29 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.613 ' O ' HD23 ' A' ' 19' ' ' LEU . 29.9 p -138.68 -166.43 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -178.86 -166.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' THR . 11.9 t -168.48 57.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.822 HD13 ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 38.52 30.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' THR . . . -151.59 -72.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' OE2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -115.66 158.84 22.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -114.01 130.75 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -109.44 131.77 54.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -132.1 133.9 44.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' N ' HD22 ' A' ' 21' ' ' LEU . . . -136.29 131.76 34.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 55' ' ' VAL . 82.0 t -131.93 102.3 14.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.01 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -107.9 144.36 35.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 9.9 ptt180 -75.12 85.4 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 31' ' ' LEU . 5.2 m -131.16 153.58 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 14.09 22.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -143.5 164.22 30.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.89 104.53 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 HG11 ' A' ' 27' ' ' VAL . 12.7 mt -64.38 146.22 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -110.1 169.7 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.12 51.59 3.89 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.05 -45.06 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -8.02 50.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -112.52 166.86 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 36' ' ' VAL . 58.3 t -134.46 101.28 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 47' ' ' VAL . 38.3 t -117.81 107.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.44 104.9 14.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.535 HG12 HD11 ' A' ' 45' ' ' LEU . 71.5 mt -91.73 107.14 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' ARG . 4.6 tt0 -101.38 151.44 21.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.645 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -41.1 -48.07 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NH1' ' CD ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -134.34 41.72 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -160.75 143.18 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.993 HD22 HD11 ' A' ' 83' ' ' LEU . 7.5 tp -131.84 117.67 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttm180 -120.96 109.15 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG13 HG22 ' A' ' 38' ' ' VAL . 46.3 t -122.29 152.16 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.0 160.17 11.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 31' ' ' LEU . 40.7 mt -81.29 136.65 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.07 134.13 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.47 -43.83 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.33 170.49 14.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.4 Cg_endo -74.99 155.34 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.4 Cg_endo -74.96 114.39 4.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.068 HG11 HG11 ' A' ' 23' ' ' VAL . 4.0 p -73.64 -1.75 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.711 HG23 HG13 ' A' ' 55' ' ' VAL . 5.7 t -145.97 128.92 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -169.86 128.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 44' ' ' HIS . . . 158.1 154.05 6.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 97' ' ' THR . 38.5 tt0 -72.09 116.36 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 64' ' ' VAL . 43.9 mt -51.11 166.92 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 32.8 t80 -61.14 -36.01 78.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -164.65 171.12 14.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' ' 43' ' ' ARG . 72.7 mt-10 -54.79 139.39 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -135.54 135.54 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' GLU . 8.1 tttt -60.45 91.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -71.57 -31.08 41.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.25 -23.79 62.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -105.84 -9.8 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.5 m -71.63 137.32 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.1 p -139.73 132.95 29.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.617 ' CG ' HG11 ' A' ' 38' ' ' VAL . 40.1 p-90 -119.0 160.68 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.43 167.82 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 79' ' ' VAL . 16.1 mt -108.37 110.47 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -78.35 143.38 36.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER 40.41 29.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 37.05 51.64 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.138 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.832 ' HG3' HG13 ' A' ' 78' ' ' VAL . 6.9 pttt -143.47 -45.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.832 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.66 148.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 73' ' ' ILE . 5.4 t -99.39 119.9 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -103.77 136.87 42.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.423 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.585 HG22 ' HB2' ' A' ' 71' ' ' TRP . 73.3 t -128.34 122.73 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.519 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 63.3 t60 -104.24 112.28 25.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.63 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.993 HD11 HD22 ' A' ' 45' ' ' LEU . 22.0 mt -99.47 156.69 16.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -133.25 112.9 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HG12 ' A' ' 64' ' ' VAL . 29.0 mttt -61.89 156.18 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 mm -80.66 -32.75 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.07 -43.21 8.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.5 mtmm 63.57 44.18 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.8 OUTLIER -165.46 31.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 3.4 tp10 -129.07 142.38 50.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 45.4 t-105 -93.66 125.59 38.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 18.7 m0 -91.94 151.99 20.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.59 4.55 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' NH1' ' CD2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -172.03 132.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.894 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.92 -51.96 59.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.894 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -127.8 148.41 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 59' ' ' GLU . 19.0 p -76.33 -34.41 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 p -119.27 107.27 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -48.88 157.98 0.71 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -84.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -127.21 -79.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 103' ' ' ASN . 38.6 mt -84.48 165.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.832 ' O ' HD11 ' A' ' 107' ' ' ILE . 2.2 t-20 -169.89 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 103' ' ' ASN . 9.9 t 47.94 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -97.44 129.34 44.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.1 tptt 62.63 137.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.832 HD11 ' O ' ' A' ' 103' ' ' ASN . 7.8 mm -125.25 -67.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -148.84 140.16 14.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 39.37 42.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -132.27 83.96 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -149.32 67.26 1.02 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -160.93 150.17 16.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mt -112.13 24.05 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.2 p -115.13 82.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.53 85.5 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.642 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -108.43 141.61 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.15 125.41 31.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.5 p -152.03 109.58 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -175.99 127.03 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.1 m -160.5 159.12 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 178.48 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.54 166.58 8.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.9 152.6 45.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.6 p -152.61 111.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.2 p 47.08 -151.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.83 97.85 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.97 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.546 1.814 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 75.4 p -179.77 124.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.39 165.23 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -163.67 98.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -177.84 147.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 146.79 4.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -50.75 157.79 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -178.0 170.25 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 173.0 45.61 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -163.26 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.96 31.41 4.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 21.4 p90 -153.02 169.75 22.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.626 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -108.41 147.18 31.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 19.4 p-90 -152.47 132.98 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 p -126.11 -167.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -179.93 172.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 15' ' ' THR . 6.1 t -136.79 37.44 2.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.9 12.7 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.935 ' HB1' ' HD2' ' A' ' 88' ' ' LYS . . . -146.5 -68.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -93.0 161.18 14.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -126.07 132.29 51.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -115.44 148.55 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 56' ' ' VAL . 13.3 tp -149.7 146.08 27.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.55 117.32 8.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 25' ' ' PHE . 47.8 t -118.36 104.62 47.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.02 153.89 41.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.855 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 19.8 m-85 -136.18 152.78 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.12 94.11 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG21 ' HG ' ' A' ' 31' ' ' LEU . 5.0 m -137.88 154.33 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.26 -0.65 38.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -122.68 166.97 14.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -81.24 99.79 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 ' HG ' HG21 ' A' ' 27' ' ' VAL . 14.3 mt -54.11 131.36 40.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 36' ' ' VAL . 17.4 mttt -100.51 167.34 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.8 7.72 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -103.22 -19.66 14.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.01 17.9 22.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 32' ' ' LYS . 43.3 t -117.8 170.3 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.552 ' N ' HG12 ' A' ' 36' ' ' VAL . 41.2 t -144.63 102.82 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG11 ' CD1' ' A' ' 71' ' ' TRP . 3.3 t -119.24 98.52 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.99 93.06 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.837 HG21 ' HB3' ' A' ' 69' ' ' SER . 81.2 mt -102.17 92.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.576 ' C ' HG12 ' A' ' 66' ' ' VAL . 43.7 mm-40 -93.24 175.62 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.08 -58.56 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HG2' ' CG ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -128.9 54.25 1.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -173.44 113.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.622 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 46' ' ' ARG . 57.1 tp -101.78 160.3 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.572 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -171.57 121.79 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 81' ' ' VAL . 53.2 t -133.98 150.9 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 160.64 162.66 12.74 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.855 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -85.61 136.27 33.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 130.24 3.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.07 -42.7 3.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -71.13 167.21 31.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.98 138.64 23.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -74.98 110.07 3.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 t -56.42 -32.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.647 HG21 HD21 ' A' ' 21' ' ' LEU . 46.0 t -118.07 143.13 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.4 t0 176.79 106.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.19 164.67 28.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' HG23 ' A' ' 97' ' ' THR . 22.7 tt0 -71.08 144.18 50.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -80.51 137.15 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.64 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . 19.6 t80 -51.96 -21.11 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.7 t-20 -160.69 129.27 4.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 46.3 mt-10 -33.33 115.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 60' ' ' LEU . 4.5 m -103.27 130.2 53.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -62.56 106.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 41' ' ' GLN . 1.5 m -65.48 -28.55 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -39.93 92.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.55 -2.88 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.837 ' HB3' HG21 ' A' ' 40' ' ' ILE . 58.5 m -79.6 144.71 33.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.28 167.12 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.654 ' CD1' HG11 ' A' ' 38' ' ' VAL . 38.4 p-90 -162.71 161.45 26.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.77 157.17 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 36' ' ' VAL . 54.3 mt -97.1 112.86 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -89.91 147.3 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.18 23.02 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.19 33.6 30.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -154.67 -47.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLU . 96.1 t -75.95 147.39 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.414 HG21 ' HE2' ' A' ' 25' ' ' PHE . 4.7 t -120.22 117.12 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 3.5 p -106.67 140.26 39.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.344 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG21 HG21 ' A' ' 47' ' ' VAL . 58.3 t -128.76 139.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' SER . 18.2 t60 -126.09 103.23 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.497 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -94.13 172.39 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.7 123.18 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 34.1 mttt -65.77 160.55 22.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -89.69 -19.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.81 -55.02 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.373 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.935 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 5.5 mtmt 65.39 72.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.55 -42.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 163.09 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -106.69 119.68 39.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD11 ' A' ' 19' ' ' LEU . 21.3 m0 -71.44 154.02 41.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.023 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.58 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m-20 -112.48 -11.61 13.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.64 ' CZ ' ' HB2' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -152.61 177.32 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.844 HD13 HG13 ' A' ' 96' ' ' VAL . 1.7 tm? -81.28 -57.03 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.844 HG13 HD13 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -127.45 127.49 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 61' ' ' TYR . 43.5 p -37.86 -36.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.9 p -127.26 119.02 25.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.03 159.86 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -72.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.83 -75.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 103' ' ' ASN . 27.0 mt -85.75 162.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.43 ' N ' HG22 ' A' ' 102' ' ' ILE . 4.5 t30 -146.87 -52.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 57.3 p -105.58 116.01 31.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -116.34 147.42 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt 61.31 148.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 16.1 mm -84.05 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -93.91 152.14 40.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -48.69 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -135.74 91.03 2.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -124.62 98.91 5.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.7 p -142.02 170.33 15.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.57 176.78 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.1 mt -111.22 89.8 3.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.3 p -116.18 79.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.31 89.81 2.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.53 155.3 23.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 t0 179.84 166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 m -126.89 -141.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -123.74 -147.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 p -131.54 175.99 8.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 158.03 37.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.17 167.04 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.5 171.99 7.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.4 p -154.14 115.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.6 p -97.67 155.26 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -114.97 119.61 4.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.16 7.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.33 172.46 7.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.989 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.73 171.75 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -137.69 -58.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.009 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -175.66 158.41 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.03 -138.76 5.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -131.33 117.91 19.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.053 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.4 175.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.05 -173.56 42.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.02 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.1 17.3 24.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 30.8 p90 -142.02 166.98 23.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.543 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 2.0 ptp180 -110.49 152.76 25.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 37.8 p-90 -163.2 157.34 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.3 p -149.14 -170.96 3.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -179.24 152.27 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' THR . 6.0 t -121.81 42.14 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt 61.89 17.21 8.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.67 -74.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.16 159.26 15.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -122.87 129.14 51.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -106.44 144.82 32.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.656 HD12 ' H ' ' A' ' 22' ' ' ALA . 13.1 tp -151.71 141.46 21.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.656 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.71 126.84 15.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HB ' ' A' ' 55' ' ' VAL . 11.1 t -126.31 104.46 25.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -74.98 151.7 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CG ' HD11 ' A' ' 49' ' ' LEU . 23.5 m-85 -134.56 152.95 52.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 86.21 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -129.62 163.86 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.83 5.35 14.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -126.45 175.59 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 6.5 mtt180 -96.25 99.58 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HB2' HG21 ' A' ' 73' ' ' ILE . 1.7 mt -47.52 143.99 3.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -100.19 -47.87 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA2' ' CG1' ' A' ' 36' ' ' VAL . . . 138.52 -14.19 3.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -94.97 -2.03 51.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.23 5.81 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -122.18 165.35 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 48' ' ' GLY . 1.9 m -128.63 114.52 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.681 HG13 HG22 ' A' ' 47' ' ' VAL . 71.3 t -134.89 92.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 45' ' ' LEU . 6.9 t0 -90.01 120.88 31.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.728 HD11 HG13 ' A' ' 81' ' ' VAL . 47.6 mt -113.22 91.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -101.01 161.27 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' N ' HG11 ' A' ' 66' ' ' VAL . 1.2 tpt180 -46.37 -62.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.56 47.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -165.7 130.67 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 39' ' ' ASP . 14.6 tp -129.64 113.61 14.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 19.8 ttm180 -118.89 97.22 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.681 HG22 HG13 ' A' ' 38' ' ' VAL . 53.4 t -112.43 115.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.559 ' CA ' ' HA ' ' A' ' 54' ' ' PRO . . . -153.63 -177.89 27.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 25' ' ' PHE . 12.5 mt -109.25 129.0 55.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -41.62 122.9 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.06 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 1.1 mp0 -81.63 165.78 41.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 141.43 26.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.3 Cg_endo -75.01 144.64 30.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HB ' HG11 ' A' ' 23' ' ' VAL . 12.1 t -85.67 -33.72 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 5.4 t -112.56 125.7 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -165.66 85.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -169.7 159.47 32.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.41 121.46 15.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.31 163.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.522 ' CD2' ' CD1' ' A' ' 92' ' ' TRP . 71.6 t80 -71.94 -36.9 70.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -153.55 142.9 21.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -43.04 148.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.9 m -137.11 135.09 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' GLU . 7.9 tttt -59.94 97.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 42' ' ' ARG . 2.1 m -71.11 -31.19 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -61.85 -20.23 63.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -114.75 5.34 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 40' ' ' ILE . 33.4 m -84.69 155.64 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 82' ' ' HIS . 89.1 p -163.85 147.07 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.647 ' CG ' HG11 ' A' ' 38' ' ' VAL . 44.5 p-90 -131.21 158.74 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.11 174.23 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 31' ' ' LEU . 2.9 mt -113.84 117.57 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.7 OUTLIER -85.98 136.88 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 2.5 m-20 45.74 25.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 74' ' ' GLU . . . 40.73 44.52 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.781 ' HG3' HG13 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -136.65 -44.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.781 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -115.74 145.74 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.429 HG13 ' CE3' ' A' ' 71' ' ' TRP . 32.3 t -95.06 124.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.76 140.84 41.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' ILE . 24.8 t -123.77 143.76 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' SER . 66.3 t60 -126.27 107.37 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 164.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -136.15 107.52 6.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -52.99 153.14 3.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mm -78.5 -37.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -92.67 -39.42 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt 64.17 42.07 5.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.11 70.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.1 tp10 178.55 136.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 65.8 t-105 -88.39 118.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 31.2 m0 -67.41 160.79 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.439 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.6 m-20 -114.01 -12.63 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.736 ' HE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -176.09 121.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD13 ' CE3' ' A' ' 12' ' ' TRP . 13.7 tp -39.64 -55.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 m -120.61 147.76 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.736 HG22 ' HE ' ' A' ' 94' ' ' ARG . 40.5 p -78.28 -29.01 47.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' ASP . 30.8 p -125.99 105.54 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' SER . 1.5 p30 -40.21 156.3 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -73.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -118.64 -72.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 103' ' ' ASN . 1.5 mt -85.45 168.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' N ' HG22 ' A' ' 102' ' ' ILE . 5.6 t-20 -118.02 -61.08 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 p -124.66 114.19 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -127.73 84.66 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 tptt 178.76 155.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.54 -55.85 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -87.43 157.56 52.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 65.11 116.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.252 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.98 140.51 45.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.2 p -96.74 171.04 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.59 176.59 8.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mp -121.07 105.43 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 82.84 1.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.93 88.84 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.0 tp -110.93 121.61 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.34 149.33 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 t -168.86 117.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' THR . 3.4 pt-20 -133.03 -148.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 120' ' ' GLU . 8.9 t -168.54 166.59 11.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.55 170.31 12.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.74 170.7 21.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.2 ttp -168.77 139.67 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.779 HG13 ' N ' ' A' ' 126' ' ' SER . 2.4 p -102.86 -148.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.779 ' N ' HG13 ' A' ' 125' ' ' VAL . 1.1 m 175.02 157.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.4 130.18 3.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.48 9.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.4 p -146.21 172.24 13.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.08 170.68 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -156.29 170.31 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.56 166.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.65 175.0 28.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -105.37 174.81 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.41 170.78 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.78 -138.23 6.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -158.9 -45.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 20.1 p90 -133.19 162.29 32.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.598 ' CG ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -116.5 149.23 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 37.2 p-90 -151.45 137.46 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 p -136.94 -165.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' NE2' ' CH2' ' A' ' 91' ' ' TRP . 11.8 pm0 179.98 -178.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' THR . 4.8 t -143.13 33.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 2.9 mt 66.64 10.59 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' HB2' ' HG3' ' A' ' 88' ' ' LYS . . . -141.24 -65.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD1' ' HE3' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -118.31 132.6 56.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -114.81 130.32 56.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.77 HD11 HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -132.78 144.01 49.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.765 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.7 123.97 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.77 HG23 HD11 ' A' ' 21' ' ' LEU . 11.8 t -125.72 103.38 28.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.5 Cg_endo -75.0 160.13 40.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD2' HD11 ' A' ' 49' ' ' LEU . 27.9 m-85 -142.61 148.82 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 86.52 5.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.63 159.7 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 9.02 40.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -141.16 168.41 19.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 1.2 mtt180 -79.4 111.08 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD13 ' HD2' ' A' ' 25' ' ' PHE . 12.4 mt -59.61 129.31 41.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.4 OUTLIER -107.62 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.09 22.52 14.54 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.48 1.26 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -142.33 39.76 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 32' ' ' LYS . 30.6 t -130.68 171.16 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.546 ' N ' HG12 ' A' ' 36' ' ' VAL . 25.4 t -144.9 113.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG11 ' CD1' ' A' ' 71' ' ' TRP . 24.8 t -141.45 104.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.24 100.38 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.859 HG22 HG13 ' A' ' 66' ' ' VAL . 89.4 mt -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.483 ' C ' HG22 ' A' ' 66' ' ' VAL . 9.2 mm100 -121.66 -173.52 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.67 -64.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' NH2' ' OE1' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -126.09 46.69 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -159.22 121.42 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . 39.3 tp -110.33 148.43 31.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' H ' HD12 ' A' ' 45' ' ' LEU . 2.7 ttm180 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 81' ' ' VAL . 76.3 t -132.41 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 159.53 179.01 34.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 25' ' ' PHE . 69.8 mt -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 37' ' ' VAL . 3.4 mttt -40.83 128.19 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.99 -41.4 3.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.07 168.58 26.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 143.64 29.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.783 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.05 107.72 2.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 23' ' ' VAL . 10.6 t -53.76 -35.33 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.9 t -117.74 137.28 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -176.47 90.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.18 166.14 38.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.897 ' OE1' HG21 ' A' ' 97' ' ' THR . 8.5 tt0 -75.12 144.36 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 0.813 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.647 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -78.65 148.11 33.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 5.6 t80 -66.18 -8.18 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.434 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.5 t-20 -166.0 125.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' ASN . 38.4 mt-10 -36.07 116.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 60' ' ' LEU . 11.4 m -100.52 136.91 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' GLU . 20.9 tttt -67.87 113.82 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 40' ' ' ILE . 1.6 t -67.72 -63.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.33 -29.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.4 mm-40 -104.89 44.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.8 m -147.2 151.12 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 p -158.29 -168.26 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.905 ' CD1' HG11 ' A' ' 38' ' ' VAL . 66.3 p-90 -163.6 156.88 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.0 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.14 176.66 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.616 HG22 ' HA2' ' A' ' 76' ' ' GLY . 13.6 mt -116.87 117.01 54.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -86.63 128.83 35.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 51.1 m-20 53.77 20.4 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 46.49 40.21 11.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.649 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.8 pttt -133.5 -45.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.6 OUTLIER -114.43 143.28 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 19.2 t -93.11 134.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -119.19 138.93 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.802 HG21 HG21 ' A' ' 47' ' ' VAL . 93.2 t -124.01 139.17 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -117.73 104.36 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.547 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -100.33 159.27 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -136.31 134.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 92' ' ' TRP . 40.7 mttt -79.46 131.08 35.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mm -43.63 -27.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' A' ' 85' ' ' LYS . 4.3 m-80 -147.11 149.32 32.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 17' ' ' ALA . 3.3 ttpt -107.81 73.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.86 24.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.4 OUTLIER -150.52 137.74 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.473 ' CH2' ' NE2' ' A' ' 14' ' ' GLN . 39.7 t-105 -94.31 149.3 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 85' ' ' LYS . 18.3 m0 -95.47 157.62 15.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 33.5 t-20 -115.7 -10.9 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -167.44 138.48 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.765 HD13 HG13 ' A' ' 96' ' ' VAL . 2.2 tm? -39.11 -61.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.765 HG13 HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -126.27 151.97 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.897 HG21 ' OE1' ' A' ' 59' ' ' GLU . 41.0 p -57.21 -39.68 75.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.7 p -130.65 105.95 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.2 142.77 75.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' OE2' ' CE1' ' A' ' 10' ' ' TYR . 15.0 pt-20 -71.4 -26.83 62.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 103' ' ' ASN . 31.8 mt 56.89 164.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 102' ' ' ILE . 0.7 OUTLIER -171.02 33.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 102' ' ' ILE . 20.6 p -38.4 122.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -176.28 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.42 161.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.405 ' H ' HD12 ' A' ' 107' ' ' ILE . 3.5 mp -42.55 -66.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -169.55 150.86 4.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 47.36 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -81.42 65.85 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -101.95 91.57 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.73 140.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 173.41 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.54 76.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.98 77.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -132.52 89.8 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.93 173.8 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -169.91 152.49 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 p -126.79 -42.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 69.26 126.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 m -115.79 162.33 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.79 154.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.1 m -137.61 169.63 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.56 143.47 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.655 HG23 ' N ' ' A' ' 126' ' ' SER . 11.5 m -109.99 -141.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.655 ' N ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER 172.83 174.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -141.47 142.08 11.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -175.66 2.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.6 p -152.23 165.61 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.05 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -169.17 136.87 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.85 125.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.07 -172.22 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -152.5 137.17 16.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -105.15 163.92 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.83 -163.17 33.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -174.02 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.595 ' O ' HD22 ' A' ' 21' ' ' LEU . 14.8 ptp180 -92.92 153.65 18.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 41.4 p-90 -158.33 133.26 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 107.989 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' HD23 ' A' ' 19' ' ' LEU . 11.3 p -132.66 -168.64 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.54 ' NE2' ' CE3' ' A' ' 91' ' ' TRP . 1.5 pt20 176.2 -174.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' THR . 9.5 t -154.06 57.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 91' ' ' TRP . 0.1 OUTLIER 45.78 28.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.62 -86.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -93.02 156.73 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD11 ' CE3' ' A' ' 92' ' ' TRP . 0.5 OUTLIER -112.31 129.85 56.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -110.37 131.47 55.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -133.17 143.79 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 21' ' ' LEU . . . -140.95 132.1 26.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 21' ' ' LEU . 59.6 t -131.84 105.87 14.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.422 ' CA ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.99 154.77 42.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.944 ' CE2' HD21 ' A' ' 49' ' ' LEU . 14.2 m-85 -137.56 161.24 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 92.0 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.901 HG21 HD21 ' A' ' 31' ' ' LEU . 2.6 m -138.07 165.35 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.89 3.27 30.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' ' CG1' ' A' ' 27' ' ' VAL . 4.2 p90 -122.17 164.42 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.36 105.64 17.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.901 HD21 HG21 ' A' ' 27' ' ' VAL . 2.9 mm? -48.4 123.71 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.777 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -100.71 160.7 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.4 51.62 2.57 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -45.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -84.93 7.58 20.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 32' ' ' LYS . 21.7 t -98.47 166.27 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 36' ' ' VAL . 54.4 t -146.5 102.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.909 HG11 ' CD1' ' A' ' 71' ' ' TRP . 13.4 t -125.38 100.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -97.55 92.41 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.733 HG21 ' CB ' ' A' ' 69' ' ' SER . 88.1 mt -94.33 101.48 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' C ' HG11 ' A' ' 66' ' ' VAL . 37.3 mm-40 -101.64 177.59 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -58.97 -54.3 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.09 55.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -178.58 132.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.493 HD23 HG11 ' A' ' 56' ' ' VAL . 45.6 tp -116.46 165.2 13.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -169.54 102.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 81' ' ' VAL . 88.1 t -117.49 147.55 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' VAL . . . 162.25 166.8 21.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.944 HD21 ' CE2' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -86.79 133.33 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -40.11 130.64 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.33 -41.87 3.04 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -73.13 167.55 33.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.764 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 139.36 24.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.01 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.642 HG21 ' HE1' ' A' ' 25' ' ' PHE . 12.1 t -54.6 -31.5 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 HD23 ' A' ' 45' ' ' LEU . 48.3 t -114.29 139.83 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t0 174.75 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.833 ' HA3' HG21 ' A' ' 96' ' ' VAL . . . -150.26 164.25 29.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.724 ' C ' HG23 ' A' ' 96' ' ' VAL . 37.6 tt0 -83.51 98.14 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.532 ' CD1' HG21 ' A' ' 64' ' ' VAL . 95.6 mt -41.52 160.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB2' ' NH2' ' A' ' 94' ' ' ARG . 2.4 t80 -62.73 -41.15 99.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -150.48 175.93 11.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -60.51 147.08 42.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CD1' ' A' ' 60' ' ' LEU . 4.9 m -137.14 127.62 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -52.51 103.49 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG11 ' C ' ' A' ' 41' ' ' GLN . 3.2 m -76.94 -35.98 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -27.59 61.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.79 -18.24 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.733 ' CB ' HG21 ' A' ' 40' ' ' ILE . 73.1 m -63.15 138.44 58.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -144.79 147.17 32.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.909 ' CD1' HG11 ' A' ' 38' ' ' VAL . 63.0 p-90 -134.22 157.71 45.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 107.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.4 175.85 13.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.606 HG22 ' HA2' ' A' ' 76' ' ' GLY . 3.5 mt -111.13 121.75 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -84.67 134.71 34.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 43.65 27.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.606 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 45.91 51.02 11.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.557 ' CE ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -157.32 -40.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.557 HG23 ' CE ' ' A' ' 77' ' ' LYS . 43.8 t -102.41 141.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.5 HG11 ' CG1' ' A' ' 47' ' ' VAL . 9.2 t -101.1 119.52 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.52 139.27 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 47' ' ' VAL . 75.8 t -126.08 114.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.406 ' CE1' ' CD ' ' A' ' 18' ' ' GLU . 47.3 t60 -99.44 93.3 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.55 -173.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -162.07 121.53 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 90' ' ' GLU . 96.2 mttt -71.12 131.96 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 86' ' ' ILE . 16.9 mm -39.85 -50.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' LYS . 29.3 m-20 -155.92 58.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 37.72 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.4 mmt -56.3 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 1.6 pt-20 -162.4 -174.55 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 16' ' ' LEU . 12.1 t-105 -79.56 82.77 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.064 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CE3' HD11 ' A' ' 19' ' ' LEU . 34.0 m0 -42.22 150.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.541 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.1 m-80 -113.05 -2.33 14.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.698 ' HE ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -157.76 156.14 31.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.557 ' C ' HD13 ' A' ' 95' ' ' LEU . 2.4 tm? -67.8 -49.2 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.833 HG21 ' HA3' ' A' ' 58' ' ' GLY . 13.2 p -138.78 150.84 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.592 ' N ' ' NH1' ' A' ' 94' ' ' ARG . 44.7 p -49.72 -29.55 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.89 147.61 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.82 158.72 72.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -85.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' ILE . 5.8 mt-10 -142.01 -64.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 103' ' ' ASN . 54.8 mt 56.47 163.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 102' ' ' ILE . 0.6 OUTLIER -169.83 32.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.4 p -113.53 134.82 54.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt 53.97 174.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -171.49 3.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 107' ' ' ILE . 4.0 mp -49.08 -63.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -80.42 141.88 53.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -55.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 65.29 106.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t30 176.68 158.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.61 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -100.35 120.32 39.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mt -117.68 92.09 3.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.08 -58.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.22 88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.82 170.21 10.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -118.64 171.86 7.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 m -126.33 -141.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.39 87.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.6 t -150.04 151.05 32.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.61 149.56 11.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.42 161.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.59 80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.4 p -168.81 123.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.4 t -174.54 135.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -174.62 84.59 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.8 p -130.11 156.21 44.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.6 t 175.76 143.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -79.36 91.8 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 110.041 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -51.1 167.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.69 168.9 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 p -129.51 116.72 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -40.64 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.07 -169.01 12.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -75.03 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -99.77 22.54 10.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 25.0 p90 -147.04 163.3 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -95.86 141.03 29.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 36.1 p-90 -153.62 140.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 19' ' ' LEU . 82.7 p -133.46 -165.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' OE1' ' C ' ' A' ' 13' ' ' THR . 13.5 pm0 -177.3 149.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 15' ' ' THR . 10.0 t -126.57 59.41 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.97 29.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 15' ' ' THR . . . -165.83 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 1.5 mt-10 -83.11 155.14 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.99 127.97 50.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -104.07 143.46 32.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 56' ' ' VAL . 16.4 tp -150.39 143.19 24.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -144.94 124.26 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.699 HG13 HG11 ' A' ' 55' ' ' VAL . 48.7 t -123.41 102.4 36.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.0 150.68 38.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CG ' HD11 ' A' ' 49' ' ' LEU . 61.2 m-85 -134.04 134.76 42.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.6 mtp-105 -70.58 84.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' PHE . 4.2 m -130.0 155.77 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.75 10.96 28.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -143.67 164.99 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CG ' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -75.3 98.87 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 8.8 mt -49.43 127.44 15.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.915 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.9 mmmt -85.54 165.33 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -11.85 85.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.36 13.88 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.15 16.79 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 32' ' ' LYS . 38.3 t -121.49 167.12 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.598 HG13 ' C ' ' A' ' 48' ' ' GLY . 0.8 OUTLIER -141.8 118.57 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.707 HG22 HG13 ' A' ' 47' ' ' VAL . 30.9 t -140.51 92.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 46' ' ' ARG . 5.2 t70 -93.98 87.32 5.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.644 HG21 ' CB ' ' A' ' 69' ' ' SER . 66.5 mt -87.26 91.19 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 15.4 mm-40 -92.49 172.61 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.68 41.22 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' GLN . 2.2 t-80 -171.96 144.86 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.005 ' CD2' HG23 ' A' ' 47' ' ' VAL . 1.7 tt -138.51 119.59 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 20.3 ttm180 -124.23 89.75 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.005 HG23 ' CD2' ' A' ' 45' ' ' LEU . 55.6 t -109.1 124.42 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.598 ' C ' HG13 ' A' ' 37' ' ' VAL . . . -161.5 -158.44 9.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD11 ' CG ' ' A' ' 25' ' ' PHE . 41.9 mt -124.63 127.99 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 1.3 mttm -43.42 117.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.21 -36.3 3.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.65 169.0 15.25 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -75.01 145.11 31.01 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HA ' ' HA3' ' A' ' 48' ' ' GLY . 18.2 Cg_endo -75.06 126.37 9.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.699 HG11 HG13 ' A' ' 23' ' ' VAL . 7.3 t -72.2 -38.75 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 21' ' ' LEU . 12.7 t -109.26 125.81 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -164.24 123.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.9 158.17 8.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.82 114.82 8.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 64' ' ' VAL . 44.7 mt -49.41 164.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.515 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 5.3 t80 -63.25 -35.8 81.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 14.5 t-20 -161.3 161.54 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 69.7 mt-10 -50.93 142.15 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 4.4 m -138.28 138.03 43.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -60.03 101.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 42' ' ' ARG . 3.8 m -75.16 -37.49 40.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.94 -15.62 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -106.34 -11.31 16.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.644 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -58.24 171.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.0 p -178.24 133.48 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.563 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -129.91 159.31 37.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.45 150.63 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.639 HG22 ' HA2' ' A' ' 76' ' ' GLY . 5.6 mt -91.69 106.79 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -75.45 131.51 40.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.49 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 7.1 m-20 44.37 27.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.639 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.22 35.47 2.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.863 ' HG3' HG13 ' A' ' 78' ' ' VAL . 13.2 pttt -125.76 -39.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.863 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -126.99 151.66 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.48 128.22 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.5 p -106.87 145.38 32.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 47' ' ' VAL . 46.4 t -131.38 143.23 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' GLU . 11.2 t60 -127.24 108.44 10.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.1 156.27 17.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -126.34 123.03 37.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 64' ' ' VAL . 73.5 mttt -71.47 150.07 45.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.5 mm -82.03 -41.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 88' ' ' LYS . 15.5 p30 -97.06 -27.29 14.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 5.5 ptpt 38.67 62.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -163.38 26.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.75 138.03 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -82.3 134.23 35.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.015 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.515 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 19.5 m0 -90.17 141.27 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -107.2 4.39 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.65 ' NE ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -175.82 131.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.863 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.8 tm? -52.07 -52.23 52.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.863 HG13 ' CD1' ' A' ' 95' ' ' LEU . 9.9 m -124.87 155.64 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.65 HG22 ' NE ' ' A' ' 94' ' ' ARG . 75.4 p -85.9 -30.88 22.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.7 p -116.96 93.44 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.38 166.64 0.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.5 Cg_endo -74.94 -143.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 10.2 pt-20 -109.31 -39.33 5.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 141.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . 3.3 p30 -92.54 -38.53 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' ASN . 6.2 p 41.59 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 130.09 42.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.1 OUTLIER -135.78 72.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.546 HD12 ' H ' ' A' ' 108' ' ' ASN . 0.7 OUTLIER -35.03 -73.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.546 ' H ' HD12 ' A' ' 107' ' ' ILE . 1.8 m-20 -143.51 162.25 42.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.51 -136.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.19 89.55 3.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.64 152.6 47.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -55.69 172.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.46 109.54 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 m -107.64 95.63 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -151.39 81.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.71 132.62 40.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 119' ' ' SER . 14.4 m-20 -62.23 145.71 52.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.589 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 3.2 t 160.82 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.589 ' CG ' ' O ' ' A' ' 119' ' ' SER . 1.4 pt-20 56.32 145.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.8 t -158.57 147.46 18.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.83 102.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.6 167.31 18.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.23 153.0 51.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 37.9 t -127.73 100.44 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.244 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.2 p -118.87 153.23 34.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -146.01 116.18 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -177.35 3.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.53 178.53 9.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m 60.1 156.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.7 86.85 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 139.89 53.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.84 144.97 11.09 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.36 111.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.01 174.28 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.07 152.62 17.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -162.28 -44.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.733 ' CB ' HG22 ' A' ' 23' ' ' VAL . 9.2 p90 -128.02 155.62 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HD12 ' A' ' 21' ' ' LEU . 14.2 mtt-85 -100.73 146.77 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 50.9 p-90 -153.69 146.39 24.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.421 ' O ' HD23 ' A' ' 19' ' ' LEU . 44.6 p -141.48 -172.1 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.0 pt20 -178.94 155.37 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' THR . 14.9 t -121.75 38.53 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt 64.12 14.52 8.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 88' ' ' LYS . . . -141.55 -67.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -103.34 156.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.3 OUTLIER -118.04 119.09 33.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.7 OUTLIER -98.08 141.51 30.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 80' ' ' THR . 13.3 tp -139.07 141.8 38.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' H ' HD12 ' A' ' 21' ' ' LEU . . . -145.54 121.32 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 55' ' ' VAL . 57.4 t -124.93 103.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.04 138.59 23.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -119.45 145.99 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -86.49 84.85 7.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.89 161.7 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.0 13.21 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.68 164.77 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 100.59 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' CD2' ' A' ' 49' ' ' LEU . 14.5 mt -54.18 136.04 43.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 mmtt -109.08 174.44 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.81 11.51 61.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 5.96 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -140.37 33.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 73' ' ' ILE . 23.1 t -128.66 170.39 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.536 ' N ' HG12 ' A' ' 36' ' ' VAL . 24.6 t -144.51 101.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.659 ' CG1' ' CD1' ' A' ' 71' ' ' TRP . 4.5 t -127.65 105.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -97.74 98.14 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.784 HG22 HG13 ' A' ' 66' ' ' VAL . 50.6 mt -89.86 113.18 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -115.77 -173.14 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.531 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -78.39 -38.94 40.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.88 56.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -177.14 140.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.018 HD22 HD11 ' A' ' 83' ' ' LEU . 5.6 tp -129.5 121.19 26.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 9.9 ttp180 -124.04 113.79 18.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 49.1 t -124.26 153.94 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 163.25 159.58 10.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' CD2' HD22 ' A' ' 31' ' ' LEU . 32.9 mt -82.95 137.67 34.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 132.89 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.37 -42.72 2.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -74.82 170.64 14.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.07 118.02 5.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.892 HG11 HG11 ' A' ' 23' ' ' VAL . 4.3 p -77.83 2.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.77 HG23 HG13 ' A' ' 55' ' ' VAL . 8.1 t -150.99 130.55 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -171.6 112.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.06 155.48 12.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 97' ' ' THR . 34.5 tt0 -73.94 110.56 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 48.0 mt -43.53 163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 78.6 t80 -68.94 -31.5 70.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -153.22 163.82 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -58.33 158.76 6.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 42' ' ' ARG . 18.0 m -150.84 145.97 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' GLU . 3.0 tttm -70.93 116.56 11.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.784 HG13 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -77.09 -64.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -41.92 -27.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 66' ' ' VAL . 3.1 mm-40 -105.97 44.69 1.02 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.7 m -143.06 160.95 39.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.948 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -162.28 -176.82 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.659 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 65.1 p-90 -156.94 161.62 39.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 108.056 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -161.73 177.39 9.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 36' ' ' VAL . 20.5 mt -115.56 121.68 67.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -87.69 134.31 33.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 47.62 23.7 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 43.46 57.86 4.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -153.53 -42.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -115.89 144.79 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.15 130.9 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.8 p -116.31 140.8 48.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HD11 ' A' ' 40' ' ' ILE . 60.9 t -128.48 148.45 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -122.31 107.59 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.614 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.018 HD11 HD22 ' A' ' 45' ' ' LEU . 20.2 mt -102.72 141.44 35.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -116.56 120.4 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.97 156.05 34.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 mm -85.99 -47.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -93.45 -24.79 17.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 6.3 ptmt 40.57 75.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -40.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 1.3 tt0 -85.59 136.78 33.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 3.1 t-105 -86.17 134.24 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 22.8 m0 -80.16 153.17 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.33 -16.87 15.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.14 130.8 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.662 ' CD1' HG13 ' A' ' 96' ' ' VAL . 2.6 tm? -41.08 -57.97 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG13 ' CD1' ' A' ' 95' ' ' LEU . 3.9 m -123.56 146.42 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' GLU . 33.1 p -70.48 -35.31 73.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -125.82 108.93 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 160.34 56.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.453 ' HB2' ' H ' ' A' ' 101' ' ' GLU . 18.2 Cg_endo -75.03 -143.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' H ' ' HB2' ' A' ' 100' ' ' PRO . 3.0 mt-10 -130.37 -81.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -76.24 160.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.12 -44.44 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.1 t -170.36 -169.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -144.87 -175.36 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -83.37 77.65 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.3 OUTLIER -36.33 -81.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.14 155.94 0.83 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.02 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -141.6 93.18 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -107.59 -35.76 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.7 m 54.83 168.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -145.49 149.25 34.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -131.4 91.26 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.91 77.66 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -129.65 87.06 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.4 -179.51 7.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -46.21 119.7 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 p -127.87 -143.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.82 -151.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.2 t -117.44 158.15 24.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 0.0 110.452 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.71 169.12 25.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.7 p -146.46 169.37 19.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.87 -172.4 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.8 p -166.63 106.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 60.0 p -134.35 127.04 30.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.98 119.19 2.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.5 p -133.51 163.1 30.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.6 m -137.17 171.34 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.78 162.15 11.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.99 164.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.83 -156.31 20.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -149.12 97.44 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m 179.78 148.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 -142.42 15.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.479 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 52.0 m-20 -140.41 -46.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 24.4 p90 -147.1 160.75 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.739 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -101.81 151.63 21.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.625 ' CE3' HD13 ' A' ' 95' ' ' LEU . 28.2 p-90 -159.38 131.67 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 107.973 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.745 ' O ' HD23 ' A' ' 19' ' ' LEU . 34.0 p -130.07 -165.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -178.84 169.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.761 HG22 ' HG3' ' A' ' 18' ' ' GLU . 14.3 t -139.76 60.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 41.93 30.09 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 85' ' ' LYS . . . -166.09 -83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.761 ' HG3' HG22 ' A' ' 15' ' ' THR . 0.1 OUTLIER -82.54 155.82 24.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -121.65 128.49 51.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.49 145.43 34.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.744 HD23 ' HB ' ' A' ' 81' ' ' VAL . 6.8 tp -149.9 146.31 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -145.64 118.4 8.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG11 HG11 ' A' ' 55' ' ' VAL . 55.4 t -112.35 100.07 48.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 122.32 7.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.455 1.766 . . . . 0.0 111.031 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.601 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 12.9 m-85 -109.33 137.92 46.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 83.73 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 31' ' ' LEU . 2.9 m -125.71 154.55 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 11.05 37.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -139.29 166.61 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 111.99 16.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.896 ' O ' HD13 ' A' ' 73' ' ' ILE . 11.0 mt -70.2 114.09 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.635 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -86.2 159.08 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 51.01 2.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -143.69 -44.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.9 15.74 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 32' ' ' LYS . 15.2 t -111.39 168.56 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.548 ' CG1' ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -145.31 121.64 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 47' ' ' VAL . 47.6 t -147.32 92.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -82.93 99.79 10.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.628 HG21 ' CB ' ' A' ' 69' ' ' SER . 33.5 mt -90.88 92.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -96.59 170.55 9.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -45.89 -55.76 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.3 51.25 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -159.9 133.21 6.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.575 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 tp -128.34 111.09 12.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 3.6 ttm180 -116.79 117.76 30.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.583 HG22 HG22 ' A' ' 38' ' ' VAL . 40.9 t -135.15 123.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . -161.19 89.2 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' C ' ' O ' ' A' ' 48' ' ' GLY . 15.7 mt -19.06 124.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -40.84 121.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.71 -35.73 4.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -87.94 168.67 16.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 0.792 . . . . 0.0 110.321 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -74.97 150.7 38.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.614 HG13 HG23 ' A' ' 56' ' ' VAL . 3.7 p -73.42 -5.56 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 55' ' ' VAL . 4.0 t -139.39 115.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -160.57 94.03 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 96' ' ' VAL . . . -168.61 147.74 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -65.28 119.81 11.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.625 HD22 ' HZ3' ' A' ' 92' ' ' TRP . 45.0 mt -52.06 162.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CE2' ' OD1' ' A' ' 62' ' ' ASN . 43.1 t80 -70.61 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.54 ' OD1' ' CE2' ' A' ' 61' ' ' TYR . 2.6 m120 -154.47 151.52 29.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -47.7 155.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 42' ' ' ARG . 5.2 m -147.34 129.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -53.96 99.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -74.63 -22.16 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.43 -11.77 61.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.02 -3.5 9.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.628 ' CB ' HG21 ' A' ' 40' ' ' ILE . 61.1 m -78.14 150.03 33.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 p -158.95 134.71 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 38' ' ' VAL . 59.8 p-90 -117.68 157.33 26.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 107.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -155.17 -179.03 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.896 HD13 ' O ' ' A' ' 31' ' ' LEU . 6.5 mt -118.18 129.06 75.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -102.41 132.6 48.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CB ' ' HG2' ' A' ' 77' ' ' LYS . 36.6 m-20 55.7 17.26 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.515 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 47.97 40.82 20.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -137.09 -42.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.524 ' CB ' ' HA ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -115.39 142.28 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG22 HG12 ' A' ' 73' ' ' ILE . 2.4 t -95.59 122.72 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -101.36 149.02 24.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.744 ' HB ' HD23 ' A' ' 21' ' ' LEU . 47.5 t -133.26 136.0 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -116.18 98.65 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.59 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -90.83 144.16 25.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -113.53 125.92 54.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 17' ' ' ALA . 96.9 mttt -73.81 132.99 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.9 mm -57.43 -59.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -19.79 23.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 85' ' ' LYS . 9.4 pttt 42.36 71.51 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -171.64 43.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 91' ' ' TRP . 0.3 OUTLIER -168.93 136.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.432 ' NE1' ' O ' ' A' ' 92' ' ' TRP . 7.9 t-105 -82.82 144.28 30.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.625 ' HZ3' HD22 ' A' ' 60' ' ' LEU . 41.5 m0 -91.8 137.67 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 5.1 m-20 -89.67 -12.73 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -172.35 115.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.625 HD13 ' CE3' ' A' ' 12' ' ' TRP . 12.5 tp -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 58' ' ' GLY . 8.5 m -120.38 152.47 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.434 ' HA ' ' NH1' ' A' ' 94' ' ' ARG . 36.5 p -80.35 -28.6 38.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.39 106.51 5.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' OD1' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -79.79 158.9 72.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.67 -63.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 103' ' ' ASN . 40.6 mt -105.25 163.68 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.642 ' O ' HG22 ' A' ' 104' ' ' THR . 3.1 p-10 -111.16 -55.47 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 103' ' ' ASN . 11.6 t 47.26 -165.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' N ' ' OG1' ' A' ' 104' ' ' THR . 0.0 OUTLIER 39.55 76.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.36 164.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.34 -68.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -75.8 151.2 84.44 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -123.64 -138.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -136.76 163.94 29.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -79.56 173.92 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -150.74 171.8 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.38 104.13 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.0 m -97.91 79.08 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.26 87.21 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.4 mt -116.61 120.1 37.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.6 t0 179.57 158.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.65 101.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.66 110.49 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 t -115.78 141.65 47.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.72 141.82 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 95.1 p -139.42 160.66 39.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.11 161.64 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.26 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.31 157.07 43.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.45 144.79 15.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.46 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.23 160.31 26.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.033 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 169.89 16.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -147.4 168.5 21.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -104.59 171.43 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.01 154.44 16.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.98 -171.61 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 0.736 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.25 119.0 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.69 143.33 6.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 18.3 Cg_endo -75.0 -28.27 9.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 8' ' ' PRO . 1.0 OUTLIER 78.77 17.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 19.5 p90 -162.1 166.02 26.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 17.1 ptt85 -101.95 153.61 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.551 ' CE3' HD23 ' A' ' 95' ' ' LEU . 31.5 p-90 -157.78 154.92 28.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -147.35 -158.2 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.449 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' N ' ' OG1' ' A' ' 13' ' ' THR . 14.6 pt20 170.5 178.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 p -142.7 48.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER 46.72 26.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.89 -64.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 0.0 OUTLIER -110.95 164.62 12.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD22 ' HE3' ' A' ' 85' ' ' LYS . 0.4 OUTLIER -104.05 158.18 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' THR . 58.8 m-20 -143.7 123.15 13.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.873 HD22 ' H ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -134.3 146.94 50.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.873 ' H ' HD22 ' A' ' 21' ' ' LEU . . . -144.84 130.35 18.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.671 ' CG1' ' CE1' ' A' ' 25' ' ' PHE . 3.5 t -126.57 100.41 28.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.07 119.88 5.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CD2' HD21 ' A' ' 49' ' ' LEU . 12.9 m-85 -102.12 118.61 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 86.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.978 HG21 HD21 ' A' ' 31' ' ' LEU . 5.7 m -130.99 -177.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.63 2.38 7.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.3 p90 -124.68 179.43 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.97 103.11 15.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 27' ' ' VAL . 1.9 mm? -51.52 122.52 8.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.3 mmtt -90.59 166.79 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 46.79 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.31 -45.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -92.5 34.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 32' ' ' LYS . 11.6 t -126.78 168.74 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 47' ' ' VAL . 75.1 t -145.83 121.01 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.853 HG11 ' CG ' ' A' ' 71' ' ' TRP . 37.8 t -145.26 92.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -90.35 87.5 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.872 HG21 ' CB ' ' A' ' 69' ' ' SER . 84.8 mt -84.07 88.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -94.03 170.28 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.7 tpt180 -49.32 -47.88 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.18 51.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -163.07 133.88 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 81' ' ' VAL . 14.2 tp -130.47 108.07 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 17.2 ttm-85 -113.8 93.43 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 17.2 t -104.64 165.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 54' ' ' PRO . . . 146.44 162.4 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' CD2' ' A' ' 25' ' ' PHE . 52.4 mt -76.89 128.06 33.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' LEU . 2.6 tttt -39.28 135.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.76 -43.87 3.02 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -73.78 171.14 11.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.73 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.2 Cg_endo -75.01 144.91 30.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.799 HG13 HG23 ' A' ' 56' ' ' VAL . 8.7 p -70.25 -7.28 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.799 HG23 HG13 ' A' ' 55' ' ' VAL . 21.9 t -136.16 116.49 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' OD2' ' CG ' ' A' ' 100' ' ' PRO . 50.7 p-10 -157.94 138.79 13.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.63 157.49 7.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.3 113.88 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 64' ' ' VAL . 46.4 mt -45.45 164.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 92' ' ' TRP . 90.0 t80 -59.18 -37.77 78.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -160.71 172.36 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.407 ' CB ' HG13 ' A' ' 86' ' ' ILE . 42.9 mt-10 -55.89 144.81 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.616 HG21 HD13 ' A' ' 60' ' ' LEU . 3.7 m -141.49 129.69 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -52.66 100.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.5 m -75.08 -22.11 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.92 -17.59 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -109.52 -11.9 14.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.872 ' CB ' HG21 ' A' ' 40' ' ' ILE . 3.2 m -65.01 151.56 45.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -152.73 135.64 15.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.853 ' CG ' HG11 ' A' ' 38' ' ' VAL . 61.3 p-90 -126.57 149.81 49.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.824 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -156.05 165.93 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.573 HG22 ' HA2' ' A' ' 76' ' ' GLY . 1.8 mp -101.62 102.99 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.53 136.48 51.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 77' ' ' LYS . 1.7 m-20 48.54 23.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 42.43 55.74 4.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.742 ' HG3' HG13 ' A' ' 78' ' ' VAL . 15.6 pttt -156.76 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.742 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -112.88 135.26 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.421 HG21 ' HE2' ' A' ' 25' ' ' PHE . 3.1 t -86.92 108.4 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -94.41 145.11 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.372 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 45' ' ' LEU . 88.6 t -135.38 148.52 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.65 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.31 118.14 15.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -105.76 140.87 38.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -101.75 116.07 31.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.557 ' HE3' HD22 ' A' ' 19' ' ' LEU . 69.3 mttt -61.79 143.56 56.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' CB ' ' A' ' 63' ' ' GLU . 12.2 mm -74.61 -29.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' C ' ' CG ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -108.14 -33.14 7.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' CG ' ' C ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER 40.7 73.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.47 -43.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -89.65 -169.31 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -124.43 135.81 53.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 61' ' ' TYR . 29.2 m0 -81.9 119.42 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 108.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -65.72 -10.52 37.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' CH2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -159.41 -155.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 12' ' ' TRP . 2.2 tm? -117.15 -49.95 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.479 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.1 m -128.46 130.53 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' SER . 43.7 p -39.19 -31.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 97' ' ' THR . 0.5 OUTLIER 163.0 146.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.5 165.5 0.19 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.499 ' CG ' ' OD2' ' A' ' 57' ' ' ASP . 18.3 Cg_endo -75.03 -85.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -101.51 -102.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.2 mt -118.6 157.56 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 174.11 122.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.2 p -103.38 144.84 30.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 28.1 pttt -93.8 -173.68 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.92 -175.89 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.432 ' H ' HG23 ' A' ' 107' ' ' ILE . 0.2 OUTLIER -44.29 -40.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.405 ' H ' HD13 ' A' ' 107' ' ' ILE . 3.8 t30 175.19 150.83 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 110' ' ' GLU . 18.3 Cg_endo -75.0 -40.52 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' PRO . 1.8 mm-40 37.09 88.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.52 137.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.0 p -167.92 52.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -63.52 -170.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.39 109.67 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 p -118.26 97.49 5.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.14 84.7 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.663 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -65.49 101.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -172.41 146.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 82.8 p -90.16 74.81 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -121.86 98.78 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 t -121.69 150.48 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -110.79 111.67 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 146.67 41.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.051 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.96 88.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.6 p -175.56 123.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 98.8 p -114.23 133.69 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -176.95 103.74 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.46 8.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t -160.52 150.46 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m -157.98 168.28 27.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 168.24 165.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.84 168.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.93 -134.16 7.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -166.5 134.91 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 88.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.53 169.24 17.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -145.15 -47.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CD1' HG12 ' A' ' 55' ' ' VAL . 27.4 p90 -112.08 159.21 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.4 ptp180 -100.58 148.84 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 21.8 p-90 -157.83 132.78 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -129.14 -169.68 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 26.5 pt20 179.42 149.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -111.22 31.09 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.4 9.73 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.78 -49.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 34.5 mt-10 -115.71 160.32 20.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -123.12 123.82 41.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -105.86 150.31 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.928 HD21 HG21 ' A' ' 56' ' ' VAL . 15.7 tp -152.91 141.83 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CG ' ' A' ' 11' ' ' ARG . . . -144.87 121.44 11.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.695 ' CG1' HG21 ' A' ' 55' ' ' VAL . 48.1 t -120.44 102.35 45.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.03 139.75 24.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CE2' HD21 ' A' ' 49' ' ' LEU . 15.1 m-85 -122.79 138.5 54.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.63 84.08 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.42 160.04 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.12 10.14 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -138.25 164.23 29.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.81 89.6 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.91 136.21 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 11.7 mmtt -96.76 -169.88 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.41 36.61 4.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -135.58 -47.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.23 -9.36 31.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -108.53 164.04 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.746 HG13 ' O ' ' A' ' 48' ' ' GLY . 0.2 OUTLIER -134.8 99.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.856 HG22 HG13 ' A' ' 47' ' ' VAL . 42.3 t -117.69 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -98.65 110.06 22.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.701 HG21 ' HB3' ' A' ' 69' ' ' SER . 85.4 mt -106.53 98.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 6.5 mm100 -95.81 172.13 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -51.7 -56.85 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.2 52.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -171.77 120.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 40' ' ' ILE . 17.1 tp -115.35 131.66 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 39' ' ' ASP . 21.2 ttm180 -140.34 123.45 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.856 HG13 HG22 ' A' ' 38' ' ' VAL . 63.6 t -140.23 110.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HG13 ' A' ' 37' ' ' VAL . . . -148.28 177.49 26.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.743 HD21 ' CE2' ' A' ' 25' ' ' PHE . 98.2 mt -103.22 113.47 26.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -36.88 124.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.53 -28.5 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -100.05 171.4 5.6 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 52' ' ' GLN . 18.3 Cg_endo -74.99 132.71 15.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' HA ' ' CA ' ' A' ' 48' ' ' GLY . 18.1 Cg_endo -75.08 145.59 31.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.695 HG21 ' CG1' ' A' ' 23' ' ' VAL . 15.4 t -88.6 -34.7 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 21' ' ' LEU . 21.2 t -114.55 134.43 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -176.81 95.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.0 158.28 19.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 97' ' ' THR . 24.6 tt0 -69.22 143.21 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.25 145.37 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 61' ' ' TYR . 6.5 t80 -63.08 -8.84 8.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.471 ' O ' HG13 ' A' ' 64' ' ' VAL . 9.6 t-20 -167.52 125.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 52.5 mt-10 -33.99 117.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG11 HD12 ' A' ' 60' ' ' LEU . 4.7 m -104.59 127.86 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' GLU . 1.8 tttt -60.55 106.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG1' ' C ' ' A' ' 41' ' ' GLN . 1.3 m -67.67 -31.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -62.57 -30.21 71.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -98.27 2.54 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.701 ' HB3' HG21 ' A' ' 40' ' ' ILE . 69.6 m -91.03 138.22 31.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.1 m -151.24 134.88 16.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.82 ' CG ' HG11 ' A' ' 38' ' ' VAL . 27.5 p-90 -121.14 162.76 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD11 ' HG2' ' A' ' 74' ' ' GLU . 1.2 pp -160.98 161.15 31.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 79' ' ' VAL . 9.5 mt -105.27 105.4 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HG2' HD11 ' A' ' 72' ' ' LEU . 1.3 mt-10 -72.7 136.92 45.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.48 27.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.547 ' HA2' HG22 ' A' ' 73' ' ' ILE . . . 40.87 49.78 4.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.751 ' HG3' HG13 ' A' ' 78' ' ' VAL . 5.5 pttt -140.39 -47.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -115.06 144.33 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 73' ' ' ILE . 5.1 t -96.71 119.18 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 1.5 p -103.41 134.08 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.829 HG21 HG21 ' A' ' 47' ' ' VAL . 49.0 t -122.54 145.02 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -130.05 104.24 7.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.41 160.58 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -137.48 108.98 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 92' ' ' TRP . 10.7 mttt -59.75 145.72 44.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLU . 2.2 mm -72.14 -29.91 34.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.503 ' O ' ' C ' ' A' ' 88' ' ' LYS . 28.0 m120 -101.46 -29.26 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 32.41 71.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -158.08 -43.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' ' SD ' ' A' ' 89' ' ' MET . 9.4 pt-20 -82.26 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.401 ' CD1' ' O ' ' A' ' 92' ' ' TRP . 2.1 t-105 -110.29 128.22 55.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 19' ' ' LEU . 22.2 m0 -70.82 166.44 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' C ' ' HG3' ' A' ' 94' ' ' ARG . 1.4 m-20 -114.57 -19.39 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -163.38 133.42 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.945 HD13 HG13 ' A' ' 96' ' ' VAL . 2.4 tm? -33.66 -61.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.945 HG13 HD13 ' A' ' 95' ' ' LEU . 1.6 m -122.42 165.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 59' ' ' GLU . 50.7 p -86.92 -34.66 19.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -128.91 86.74 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.42 148.64 40.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -65.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 72.43 125.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 103' ' ' ASN . 5.0 mt -100.85 174.2 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.628 ' H ' HG22 ' A' ' 102' ' ' ILE . 18.8 m-20 -98.21 35.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p -95.73 164.9 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 169.73 9.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -85.71 79.17 9.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 106' ' ' LYS . 0.2 OUTLIER -36.42 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -163.01 136.71 4.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -66.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.8 114.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -141.89 153.0 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 p -166.92 146.7 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.567 ' C ' HD13 ' A' ' 114' ' ' LEU . 22.3 mttp -148.91 141.98 24.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.795 ' N ' HD13 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -141.04 89.24 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.469 ' HB3' HD12 ' A' ' 117' ' ' LEU . 55.4 m -59.97 -63.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.9 t0 61.97 26.22 15.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 115' ' ' SER . 0.3 OUTLIER -70.36 160.8 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.43 -157.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.55 129.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.04 -146.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 t -160.45 -171.62 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.31 -178.57 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 56.3 p -159.24 164.05 35.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 109.976 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.99 155.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 126' ' ' SER . 2.6 p -118.75 -147.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.785 ' N ' HG13 ' A' ' 125' ' ' VAL . 4.8 t -176.18 121.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.64 96.46 0.54 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -176.01 2.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -151.48 177.01 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.039 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 t -165.74 129.9 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.158 . . . . 0.0 110.963 -179.966 . . . . . . . . 0 0 . 1 stop_ save_