data_2ql0_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 2ql0 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.344 -0.613 . . . . 75.32 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' GLU . 28.2 m-85 -139.88 167.06 22.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 73.43 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.16 146.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 62.3 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -75.64 144.88 41.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 73.32 108.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -106.85 21.59 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 74.44 110.425 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -119.56 -47.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 72.22 109.229 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 p -101.85 -49.9 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.02 108.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.32 4.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.433 1.083 . . . . 62.32 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -98.03 142.22 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 75.23 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -100.45 144.03 29.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 70.43 110.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 11.3 t80 -101.81 134.45 44.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 75.3 111.022 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -112.45 98.88 45.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 73.13 109.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.5 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 61.44 111.042 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.66 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 45.42 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -109.93 -2.83 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.43 110.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.13 13.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.093 . . . . 41.43 111.03 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.33 84.99 59.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 73.21 109.315 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -13.31 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 72.31 111.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.94 -21.22 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 74.25 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -108.43 -27.67 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.44 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.97 1.17 8.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 71.44 111.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -71.74 139.63 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 0.805 . . . . 73.15 109.303 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.91 155.93 88.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.52 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.95 13.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 75.51 111.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.03 49.6 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.589 1.181 . . . . 73.45 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m -134.79 114.41 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 75.12 110.5 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -77.84 167.55 21.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.43 110.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -59.0 -33.43 70.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.22 110.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 -19.69 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.21 109.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -89.54 -25.12 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.14 109.354 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 mt -45.11 158.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.54 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 166.36 29.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.413 1.743 . . . . 73.11 111.052 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.01 -16.44 47.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 70.23 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -105.62 36.69 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.24 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -91.79 153.67 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 74.11 108.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -147.97 150.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 75.41 109.256 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.93 135.39 28.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 55.02 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 73.5 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -93.5 -60.79 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 71.42 109.227 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.04 -70.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 74.15 108.231 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.15 60.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 61.53 111.053 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.23 162.1 23.73 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 65.43 109.299 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.76 21.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 74.34 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.94 -15.57 32.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 72.25 109.282 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -62.41 -17.17 58.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 63.32 109.978 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -100.84 -5.85 25.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 51.2 110.264 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -100.61 125.86 47.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 74.23 110.961 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 19.3 mm-40 -113.4 -177.71 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.54 110.264 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.17 122.09 30.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 70.1 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 75.42 109.329 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 75.32 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -112.02 122.69 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.43 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -79.88 179.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 62.3 109.265 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.4 t -106.73 141.78 37.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.32 108.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 p -99.82 24.58 8.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 74.44 110.419 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.64 -50.99 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 72.22 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -106.65 -38.28 6.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 71.02 108.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.74 1.81 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 62.32 111.022 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 7.4 t80 -64.97 155.61 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 75.23 110.978 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -114.25 139.29 49.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 70.43 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -104.63 154.42 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.3 110.939 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -135.97 98.32 11.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 73.13 109.326 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.42 20.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 61.44 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.5 -30.1 68.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 45.42 109.289 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.9 -32.05 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.43 110.321 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.12 -158.16 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 41.43 111.031 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -160.43 85.38 1.96 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 73.21 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.04 14.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 72.31 110.975 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -70.22 -48.5 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 109.276 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.98 -66.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 72.44 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.89 60.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 71.44 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.83 120.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 73.15 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -55.87 155.23 11.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 74.52 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 75.51 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.17 58.26 0.48 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 73.45 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -130.0 98.22 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 0.797 . . . . 75.12 110.375 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.5 156.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.43 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 18.1 t80 -61.34 -38.24 86.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.22 111.045 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.92 -19.19 63.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 74.21 109.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.16 30.5 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.14 109.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 71.9 mt -99.98 157.65 33.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.54 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.54 42.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.441 1.758 . . . . 73.11 110.97 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.55 -15.84 61.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 70.23 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -101.84 32.01 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 71.24 109.316 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -97.05 162.56 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.11 108.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -152.82 -176.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 75.41 109.263 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.61 135.58 78.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 55.02 108.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 73.5 110.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.37 -58.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 71.42 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.48 -74.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.15 108.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.29 58.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 61.53 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.25 161.13 23.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 65.43 109.33 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.24 33.75 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.809 . . . . 74.34 110.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -64.9 -18.59 65.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.25 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -63.86 -12.96 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 63.32 109.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.76 44.61 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 51.2 110.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 14.3 m-85 -141.24 130.34 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 74.23 110.985 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.93 165.47 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 62.54 110.359 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.97 149.3 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 70.1 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 75.42 109.312 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 75.32 109.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.654 ' CD2' ' CG ' ' A' ' 30' ' ' PHE . 16.5 m-85 -142.79 150.28 39.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 73.43 111.055 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.12 156.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 62.3 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.5 t -90.53 126.5 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 73.32 108.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -80.97 3.2 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 74.44 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.43 -47.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.556 1.16 . . . . 72.22 109.352 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 1.8 m -103.59 -58.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 71.02 108.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.82 9.89 10.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 62.32 110.921 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.02 121.58 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 75.23 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -75.41 130.05 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.43 110.3 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CE2' HD12 ' A' ' 33' ' ' LEU . 88.5 t80 -97.42 121.26 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 75.3 110.962 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -110.24 99.92 42.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 73.13 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.19 9.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.432 1.754 . . . . 61.44 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.23 68.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 45.42 109.344 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -95.67 -37.03 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.43 110.312 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 -176.22 26.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 41.43 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.22 96.46 0.95 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.564 0.802 . . . . 73.21 109.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.17 21.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 72.31 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.38 -45.42 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 74.25 109.35 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -85.31 -16.47 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 72.44 109.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 5.98 32.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 71.44 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.06 174.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 73.15 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 160.89 54.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.52 109.252 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.3 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 75.51 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.84 49.08 0.8 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 73.45 110.986 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -124.74 94.7 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 75.12 110.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -44.24 151.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 73.43 110.014 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.654 ' CG ' ' CD2' ' A' ' 4' ' ' TYR . 27.6 t80 -55.72 -28.54 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 75.22 111.004 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.1 -21.36 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.21 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.31 19.34 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 13' ' ' TYR . 29.5 mt -80.99 155.41 72.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 74.54 109.239 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.22 25.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 73.11 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.96 -16.0 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 70.23 109.327 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.56 31.71 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.24 109.261 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.42 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 88.3 t90 -100.15 162.01 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 74.11 107.98 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 22.3 m -155.72 -178.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 75.41 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.39 135.51 75.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 55.02 108.262 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.24 9.13 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.51 1.795 . . . . 73.5 111.04 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.452 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 24.7 t -99.45 -59.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 71.42 109.236 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -70.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.15 108.314 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.72 47.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 61.53 111.029 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.61 159.04 39.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 65.43 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -178.71 4.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 74.34 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -92.91 24.23 3.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 72.25 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -100.39 -11.96 19.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 63.32 110.008 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -107.35 -27.46 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 51.2 110.217 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.26 118.68 8.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 74.23 110.936 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 52' ' ' ALA . 1.4 pp20? -90.01 172.72 8.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 62.54 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.53 117.72 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 70.1 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 75.42 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 50.7 tttt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.34 -0.615 . . . . 75.32 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 50.5 m-85 -155.13 123.07 5.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.192 . . . . 73.43 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -80.2 -179.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 62.3 109.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.14 136.04 50.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 73.32 108.288 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 p -91.77 29.47 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 74.44 110.413 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.75 -54.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 72.22 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.53 -38.88 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.02 108.258 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.37 19.86 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 62.32 110.975 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 22.6 t80 -59.25 171.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 0.801 . . . . 75.23 111.022 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.592 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.4 pt-20 -127.13 117.97 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.43 110.275 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -94.14 132.71 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 75.3 111.016 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -121.89 97.71 45.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.13 109.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 61.44 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.17 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 45.42 109.305 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -92.09 -24.64 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 74.43 110.263 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.41 -145.0 17.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 41.43 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.4 t0 178.47 84.74 0.15 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 73.21 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 72.31 111.009 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -52.41 -24.7 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.25 109.312 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.03 -51.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.44 109.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.79 47.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 71.44 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 87.7 t -96.77 167.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 73.15 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -112.85 154.29 44.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.52 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 75.51 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.81 54.47 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 73.45 111.046 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.408 ' CG2' HD23 ' A' ' 33' ' ' LEU . 8.3 m -133.67 89.45 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 75.12 110.357 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -40.02 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 73.43 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 28.6 t80 -73.6 -14.83 61.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 75.22 110.988 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.39 -18.79 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.21 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.4 -22.3 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.14 109.24 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 28' ' ' THR . 13.1 mt -44.19 157.57 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.54 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 73.11 110.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.02 -19.33 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 70.23 109.338 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.31 23.98 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.24 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -91.75 147.14 23.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.995 -1.113 . . . . 74.11 107.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -144.6 171.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 75.41 109.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.61 135.47 71.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 55.02 108.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.43 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 73.5 110.987 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.6 t -100.59 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 71.42 109.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -73.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 74.15 108.233 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.94 56.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 61.53 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.74 157.0 38.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 65.43 109.262 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.8 40.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 74.34 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.4 mtmp? -66.79 -17.16 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.25 109.367 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 t -63.32 -15.48 57.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 63.32 110.012 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -103.18 -35.88 8.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 51.2 110.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 9.8 m-85 -53.03 134.43 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.23 111.012 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -108.77 147.76 31.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 62.54 110.368 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.95 115.74 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 70.1 109.314 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 75.42 109.226 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 75.32 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 58.3 m-85 -126.4 178.69 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 73.43 111.027 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.47 144.69 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 62.3 109.298 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.64 151.4 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 73.32 108.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.4 p -114.02 -16.69 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.44 110.42 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -78.63 -49.76 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 72.22 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.508 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 11.7 p -97.82 -47.42 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.02 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.37 47.16 1.45 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 62.32 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' HG22 ' A' ' 41' ' ' VAL . 2.4 t80 -117.84 131.7 56.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 75.23 110.984 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -90.98 131.53 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 70.43 110.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -91.38 143.79 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 75.3 111.065 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -116.65 99.4 52.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.13 109.265 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 61.44 111.043 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.15 93.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 45.42 109.347 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -91.43 -13.73 31.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 74.43 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.49 -146.42 40.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 41.43 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -170.86 96.63 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 73.21 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 72.31 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -69.26 -52.34 28.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.453 1.096 . . . . 74.25 109.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -86.31 -18.87 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.44 109.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.39 10.64 19.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 71.44 111.001 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.62 95.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.15 109.277 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 154.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.52 109.371 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 97.08 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 75.51 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.37 45.65 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 73.45 111.04 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -124.13 85.8 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 75.12 110.404 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.9 m -49.47 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.43 110.067 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 20.9 t80 -63.63 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 75.22 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.22 -16.69 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 74.21 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -94.01 -19.7 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 74.14 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.21 157.69 2.18 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.527 1.142 . . . . 74.54 109.307 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.16 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 73.11 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.71 -26.85 13.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.23 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -94.93 31.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 71.24 109.306 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -88.42 154.54 20.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 74.11 107.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.19 164.75 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 75.41 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.1 135.36 96.29 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 55.02 108.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.11 17.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.641 1.864 . . . . 73.5 111.031 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 11' ' ' TYR . 67.5 t -92.22 -59.54 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 71.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -74.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 74.15 108.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.4 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.416 1.072 . . . . 61.53 111.027 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.23 159.98 34.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 65.43 109.29 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.24 3.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 74.34 111.032 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.5 mtmp? -93.11 26.33 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 72.25 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -107.4 -12.1 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' OE1' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -105.81 -10.06 16.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 51.2 110.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CD1' ' OE1' ' A' ' 48' ' ' GLU . 13.3 m-85 -79.14 132.1 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.23 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.61 147.81 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 62.54 110.262 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.35 114.12 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 70.1 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 75.42 109.311 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.285 -0.635 . . . . 75.32 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.778 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 46.1 m-85 -141.57 165.26 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 73.43 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.81 140.13 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 62.3 109.264 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -73.72 128.92 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.32 108.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 74.44 110.421 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -117.62 -46.99 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 72.22 109.233 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.96 -64.27 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 71.02 108.245 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.06 71.2 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 62.32 110.988 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 30.2 t80 -97.39 175.09 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 75.23 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 3.3 pt-20 -133.61 62.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 70.43 110.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -58.57 132.97 55.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.3 111.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -125.49 98.33 35.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.13 109.299 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 61.44 111.065 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.93 -22.73 45.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 45.42 109.298 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.89 -6.84 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.43 110.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.53 -151.13 20.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.586 1.179 . . . . 41.43 110.986 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.62 98.69 2.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 73.21 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -7.09 18.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 72.31 110.948 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.23 -30.6 43.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 74.25 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.16 173.16 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.44 109.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.86 58.43 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 71.44 111.037 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 t -116.99 143.95 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 73.15 109.313 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -84.97 157.58 59.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 74.52 109.344 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 106.3 2.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.759 . . . . 75.51 111.082 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.57 65.92 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 73.45 111.003 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -139.33 120.47 14.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 0.736 . . . . 75.12 110.416 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -67.16 148.81 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 73.43 110.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 11.2 t80 -55.51 -33.23 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 75.22 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -73.75 -21.04 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.21 109.335 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -95.47 27.52 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.14 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.25 156.99 36.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.54 109.343 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.61 26.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 73.11 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.88 8.77 33.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 70.23 109.262 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.18 21.93 10.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 71.24 109.32 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -95.31 153.17 17.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.11 108.034 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -145.02 -177.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 75.41 109.333 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.61 135.54 78.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 55.02 108.22 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -0.23 9.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 73.5 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.87 -60.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.42 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 -66.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.15 108.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.17 54.66 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 61.53 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.82 165.65 12.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 65.43 109.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.38 20.55 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.807 . . . . 74.34 111.022 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -64.79 -16.47 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.25 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -18.29 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 63.32 109.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.02 32.56 5.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 51.2 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -132.43 116.07 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.23 111.049 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -114.81 167.62 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 62.54 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.0 128.76 34.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 70.1 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 75.42 109.338 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 75.32 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 69.5 m-85 -140.33 166.85 23.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 73.43 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.52 146.16 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.3 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.77 131.6 35.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 73.32 108.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -87.62 6.68 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 74.44 110.378 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -100.27 -43.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 72.22 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -107.97 -55.09 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 71.02 108.27 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.36 3.09 10.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.131 . . . . 62.32 110.996 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.66 147.42 52.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 75.23 110.958 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.88 126.85 53.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 70.43 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 20.4 t80 -92.63 129.71 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 75.3 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -109.98 100.3 42.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 73.13 109.269 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.0 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 61.44 111.029 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.58 -44.91 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 45.42 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -112.91 -15.21 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 74.43 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.79 -125.57 8.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 41.43 111.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.95 99.05 0.74 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.753 . . . . 73.21 109.281 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.77 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 72.31 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.04 -53.86 29.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 74.25 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -79.8 -55.37 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 72.44 109.317 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.01 71.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 71.44 111.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.73 136.43 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 73.15 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -49.26 155.34 1.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.52 109.244 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 75.51 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.87 71.27 0.4 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 73.45 111.029 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -132.56 100.11 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 0.722 . . . . 75.12 110.383 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -55.36 158.78 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 73.43 110.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 23.9 t80 -60.73 -27.22 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 75.22 111.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.12 -18.48 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 74.21 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -22.53 23.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 74.14 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.85 158.81 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 74.54 109.288 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 178.4 7.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.451 1.764 . . . . 73.11 111.022 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.27 8.63 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 70.23 109.277 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -122.66 18.68 10.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 71.24 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -86.46 151.37 23.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.997 -1.112 . . . . 74.11 107.997 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.77 168.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 75.41 109.28 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.43 135.57 96.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 55.02 108.296 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 73.5 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 39.1 t -99.38 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.42 109.3 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -71.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.158 . . . . 74.15 108.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.33 45.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.09 . . . . 61.53 111.006 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.56 165.73 17.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 65.43 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.96 -179.26 4.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.34 111.049 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -90.35 16.0 9.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 72.25 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -96.28 -9.62 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.32 110.003 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.05 -2.06 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 51.2 110.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.48 125.59 37.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 74.23 110.95 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -108.64 154.81 21.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 62.54 110.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.24 119.29 13.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 70.1 109.349 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 75.42 109.317 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.36 -0.607 . . . . 75.32 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 59.1 m-85 -104.83 146.27 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 62.3 109.254 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.68 163.24 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.32 108.327 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -124.22 18.79 9.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.44 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.03 -47.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 72.22 109.346 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.14 -45.07 4.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 71.02 108.259 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 3.02 23.68 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.482 1.114 . . . . 62.32 111.002 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -69.33 141.69 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 75.23 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 141.73 33.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 70.43 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 88.1 t80 -94.95 128.53 41.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.3 111.052 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.97 100.32 42.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 73.13 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -11.68 21.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 61.44 110.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.89 90.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 45.42 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -105.11 -3.24 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.43 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -125.57 9.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 41.43 110.962 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' CE1' ' A' ' 13' ' ' TYR . 5.4 m-20 178.87 99.86 0.16 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 73.21 109.273 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -9.83 20.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 72.31 111.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.94 -31.41 68.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 74.25 109.36 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -109.98 -24.45 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 72.44 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.52 1.17 26.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 71.44 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.91 142.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 73.15 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -77.02 157.23 81.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.52 109.228 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.95 14.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.418 1.746 . . . . 75.51 111.05 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.94 41.16 2.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 73.45 111.032 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -121.82 87.85 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 75.12 110.379 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -47.33 157.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 73.43 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 14.0 t80 -67.25 -19.32 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 75.22 111.04 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.25 -19.35 26.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 74.21 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.62 -16.12 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 74.14 109.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.88 157.73 1.01 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 74.54 109.343 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 73.11 110.96 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.3 8.64 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 70.23 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.56 16.33 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 71.24 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -78.08 148.59 34.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.11 108.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.32 161.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.41 109.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.37 135.42 76.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 55.02 108.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.12 9.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 73.5 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -100.69 -58.96 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 71.42 109.279 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 -72.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 74.15 108.287 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.02 48.78 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 61.53 111.045 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.73 155.61 39.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 65.43 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 164.86 32.59 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.792 . . . . 74.34 111.033 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -69.15 -16.8 63.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 72.25 109.229 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -64.15 -12.4 39.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 63.32 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.49 -31.12 9.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 51.2 110.275 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.31 132.87 50.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.087 . . . . 74.23 111.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.0 158.04 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 62.54 110.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 112.6 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 70.1 109.335 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 75.42 109.364 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.4 tttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 75.32 109.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.442 ' CG ' ' CE2' ' A' ' 30' ' ' PHE . 20.9 m-85 -132.1 163.76 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.43 111.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.53 147.62 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 62.3 109.346 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -83.08 120.24 25.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 73.32 108.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -83.97 7.75 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 74.44 110.42 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -93.98 -50.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 72.22 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -107.93 -48.81 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 71.02 108.285 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.38 0.35 9.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 62.32 110.994 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -70.54 127.44 32.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 0.788 . . . . 75.23 110.976 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -87.67 125.82 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 70.43 110.238 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.478 ' CE2' HD13 ' A' ' 33' ' ' LEU . 19.3 t80 -81.26 132.86 35.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.3 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -111.75 99.96 46.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 73.13 109.264 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.4 Cg_endo -74.93 -3.67 14.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 61.44 111.051 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.46 -16.99 56.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 45.42 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -122.93 2.42 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 74.43 110.29 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.07 -124.17 31.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 41.43 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -167.14 99.91 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 73.21 109.254 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.35 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 72.31 111.049 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.26 -29.02 24.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.25 109.275 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -118.29 -175.94 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 72.44 109.271 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.87 72.2 2.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 71.44 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.84 149.35 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 73.15 109.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.52 156.16 37.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.52 109.231 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 88.34 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 75.51 111.024 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.31 66.25 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 73.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -136.64 109.72 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 0.729 . . . . 75.12 110.394 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 p -54.36 157.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.43 109.997 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' ' CG ' ' A' ' 4' ' ' TYR . 16.6 t80 -62.37 -35.14 78.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 75.22 111.015 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.93 -18.13 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.21 109.256 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.27 -18.49 36.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.14 109.268 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.478 HD13 ' CE2' ' A' ' 13' ' ' TYR . 93.1 mt -55.97 156.48 9.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.54 109.264 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.16 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 73.11 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 8.56 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.052 . . . . 70.23 109.33 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.66 29.12 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 71.24 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -90.4 154.34 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 74.11 108.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.41 -179.22 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 75.41 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -78.68 135.5 60.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 55.02 108.315 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 73.5 111.044 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.6 -59.56 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 71.42 109.247 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -71.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.15 108.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 56.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 61.53 111.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.77 156.68 38.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 65.43 109.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.08 25.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 74.34 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -58.91 -20.24 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 72.25 109.338 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.8 p -54.27 -22.38 11.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 63.32 110.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.66 -29.08 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 51.2 110.307 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -75.21 130.91 39.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.23 111.016 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 2.9 mm-40 -121.6 -178.62 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 62.54 110.323 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.16 123.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 70.1 109.388 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 75.42 109.334 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 mttp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.335 -0.617 . . . . 75.32 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 51.7 m-85 -148.66 128.37 13.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 73.43 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -103.73 126.95 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 62.3 109.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.83 161.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.32 108.322 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -116.66 2.44 12.97 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 74.44 110.397 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -99.66 -49.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.22 109.372 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -113.31 -61.98 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 71.02 108.296 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.66 72.66 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 62.32 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 13' ' ' TYR . 5.6 t80 -118.84 108.07 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 75.23 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' TYR . 2.7 pt-20 -73.39 65.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 70.43 110.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 73.5 t80 -37.61 138.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -111.8 102.66 54.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 73.13 109.244 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.26 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.541 1.811 . . . . 61.44 110.997 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.79 -27.7 36.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 45.42 109.349 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -126.98 9.07 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 74.43 110.26 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.09 -121.71 26.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.441 1.088 . . . . 41.43 110.972 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -147.47 100.05 3.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 73.21 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.48 16.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 72.31 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.66 -39.05 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 74.25 109.258 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -114.01 -176.83 2.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 72.44 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.36 70.05 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 71.44 111.034 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -135.41 139.35 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 73.15 109.304 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -91.61 156.84 42.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 74.52 109.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -7.1 18.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 75.51 111.101 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.15 37.32 3.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 73.45 111.008 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -135.84 117.46 14.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 75.12 110.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -81.86 176.52 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 73.43 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 29.4 t80 -72.28 -27.06 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 75.22 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.05 -22.33 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 74.21 109.278 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -88.53 -20.29 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.14 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -48.24 154.94 0.98 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.182 . . . . 74.54 109.307 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.11 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.7 -14.73 14.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 70.23 109.318 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -102.01 28.97 5.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 71.24 109.259 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.492 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 82.4 t90 -90.15 163.57 14.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 74.11 108.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 27.1 m -157.35 163.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 75.41 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.35 135.23 93.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 55.02 108.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.95 -6.62 18.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 73.5 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.22 -58.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 71.42 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.86 -70.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 74.15 108.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.02 54.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 61.53 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.45 168.8 7.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.588 0.816 . . . . 65.43 109.255 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.59 16.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 74.34 111.018 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -64.75 -15.82 62.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 72.25 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -62.6 -15.65 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.32 109.948 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -107.69 24.11 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 51.2 110.277 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.68 115.88 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 74.23 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -104.89 160.18 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 62.54 110.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.19 132.94 34.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 70.1 109.263 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 75.42 109.366 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 5.9 mtmp? . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.314 -0.624 . . . . 75.32 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 19.4 m-85 -155.07 147.75 24.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 73.43 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 51' ' ' ALA . 14.7 p -109.07 147.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 62.3 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.71 124.7 37.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 73.32 108.292 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -76.64 -2.29 32.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 74.44 110.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.47 -44.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 72.22 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -107.57 -59.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 71.02 108.334 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.76 11.75 9.09 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.477 1.111 . . . . 62.32 111.018 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.26 151.93 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 75.23 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.48 122.1 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 70.43 110.305 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -91.96 114.0 26.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 75.3 111.021 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.07 100.09 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 73.13 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 61.44 111.003 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.06 -22.92 65.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 45.42 109.234 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.16 -29.09 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.43 110.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.14 -174.82 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 41.43 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.99 97.44 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 73.21 109.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.89 19.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 72.31 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.88 -28.58 66.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 74.25 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -110.25 -22.65 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.44 109.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.86 13.96 14.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 71.44 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.43 157.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 73.15 109.264 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -94.46 162.28 26.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.52 109.216 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.02 10.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 75.51 111.024 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 50.41 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.513 1.133 . . . . 73.45 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -127.21 107.2 9.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 75.12 110.382 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -66.95 153.23 44.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 73.43 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 6.7 t80 -61.14 -26.91 68.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 75.22 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.25 -14.46 59.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 74.21 109.29 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -103.71 20.43 18.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.14 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.59 155.36 65.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.54 109.255 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.537 1.809 . . . . 73.11 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.87 8.59 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 70.23 109.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -125.26 26.8 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 71.24 109.294 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -79.61 156.87 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 74.11 107.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -152.19 146.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 75.41 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.6 t -50.9 135.51 27.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 55.02 108.262 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -0.29 9.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 73.5 111.04 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 94.4 t -96.39 -61.68 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 71.42 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.76 -63.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.15 108.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.95 48.71 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 61.53 110.929 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.16 154.87 37.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 65.43 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.41 6.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.782 . . . . 74.34 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -14.82 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 72.25 109.31 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -52.49 -21.26 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 63.32 110.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.88 -71.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 51.2 110.312 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -39.37 136.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.23 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 15.1 pt-20 -119.44 -52.46 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.54 110.231 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . -171.14 169.08 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 70.1 109.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 75.42 109.374 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.6 mttt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.272 -0.64 . . . . 75.32 109.272 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.696 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 50.0 m-85 -140.17 122.58 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.43 110.994 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 6' ' ' CYS . 2.5 p -118.29 146.46 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 62.3 109.336 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' HG21 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -86.27 119.39 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 73.32 108.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -96.9 35.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.057 . . . . 74.44 110.439 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -127.62 -48.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 72.22 109.328 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.491 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 21.5 p -106.97 -49.4 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 71.02 108.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 63.19 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 62.32 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HG2' ' A' ' 40' ' ' PRO . 27.3 t80 -128.88 153.73 47.19 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 0.784 . . . . 75.23 110.998 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.63 128.67 55.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 70.43 110.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -101.42 132.76 46.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 75.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 17' ' ' GLU . 6.3 t70 -109.94 100.3 42.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.13 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.584 1.834 . . . . 61.44 110.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.88 -28.98 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 45.42 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 9.8 pt-20 -111.56 -22.51 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.43 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 -127.25 9.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 41.43 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -166.77 99.58 0.67 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 73.21 109.3 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.548 1.815 . . . . 72.31 110.958 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -77.34 -28.7 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 74.25 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -124.03 -176.94 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 72.44 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.09 67.25 2.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 71.44 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -125.4 169.31 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 73.15 109.337 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 158.28 72.88 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 74.52 109.341 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.75 18.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 75.51 111.021 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.72 48.53 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 73.45 110.984 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -141.55 138.92 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 75.12 110.409 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -92.66 166.31 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 73.43 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 12.4 t80 -72.66 -31.63 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.22 110.977 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.08 -18.56 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 74.21 109.3 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -88.02 -23.75 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 74.14 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -41.77 155.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.54 109.305 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.821 . . . . 73.11 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.94 8.54 22.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 70.23 109.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -119.89 19.12 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 71.24 109.326 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -89.22 156.94 18.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.975 -1.121 . . . . 74.11 107.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.3 m -152.95 166.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 75.41 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.51 135.54 85.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 55.02 108.282 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.493 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.94 -0.81 10.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 73.5 111.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 t -97.85 -58.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 71.42 109.249 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.89 -71.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 74.15 108.239 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.04 47.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 61.53 110.993 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.1 166.71 20.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 0.731 . . . . 65.43 109.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 153.26 41.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 74.34 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -63.65 -14.51 52.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 72.25 109.305 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -76.88 -10.73 59.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 63.32 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -105.35 14.82 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 51.2 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -105.75 102.22 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 74.23 111.078 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.17 118.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.54 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.19 99.46 7.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 70.1 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.42 109.283 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 6.8 mtpm? . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.27 -0.641 . . . . 75.32 109.27 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 61.1 m-85 -152.79 156.12 38.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 73.43 111.003 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.47 148.25 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 62.3 109.354 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.19 141.56 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.32 108.349 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.2 p -93.99 2.31 56.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 74.44 110.43 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -101.09 -44.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 72.22 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 1.7 m -100.69 -58.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 71.02 108.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.01 8.49 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 62.32 111.01 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 14.0 t80 -82.85 155.63 24.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 75.23 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 7.1 pt-20 -113.04 136.49 52.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 70.43 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.38 140.35 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 75.3 110.991 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -110.2 100.07 42.53 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 73.13 109.324 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.92 19.6 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 61.44 111.051 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.46 -49.81 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 45.42 109.333 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.44 12.62 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 74.43 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.25 -130.35 50.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 41.43 111.057 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 34.4 t70 -166.21 102.71 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 73.21 109.295 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.92 20.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 72.31 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.4 -38.25 83.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 74.25 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.489 ' OD1' ' CG2' ' A' ' 24' ' ' VAL . 22.2 p30 -116.87 -175.18 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 72.44 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.53 66.3 3.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 71.44 111.075 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 t -112.42 106.5 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 73.15 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 154.71 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.52 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 97.04 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 75.51 110.983 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 75.83 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.123 . . . . 73.45 110.918 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -142.5 97.78 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 75.12 110.377 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -57.96 169.17 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 73.43 109.977 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 50.9 t80 -69.66 -31.04 68.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 75.22 111.043 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.44 -16.27 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.21 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.19 -23.32 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 74.14 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -43.99 158.55 0.26 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 74.54 109.329 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.449 1.762 . . . . 73.11 110.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 8.72 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 70.23 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.36 23.96 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 71.24 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -88.44 141.42 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.11 108.024 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.99 154.85 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 75.41 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.29 135.44 5.45 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 55.02 108.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -0.17 9.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 73.5 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.445 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 99.6 t -97.79 -61.97 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 71.42 109.276 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.88 -68.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 74.15 108.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.48 60.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 61.53 111.003 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.01 164.73 14.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 65.43 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 156.84 42.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.812 . . . . 74.34 111.036 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -65.1 -16.11 63.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 72.25 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -65.91 -19.34 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 63.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.56 -33.2 16.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 51.2 110.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.16 134.24 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.23 111.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -112.44 155.83 23.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 62.54 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.19 105.12 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 70.1 109.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 75.42 109.368 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.285 -0.635 . . . . 75.32 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -115.39 157.53 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 73.43 110.935 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.52 159.26 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 62.3 109.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 t -92.29 121.4 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 73.32 108.239 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 p -75.69 -2.34 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.44 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.62 -51.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 72.22 109.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.4 -58.66 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 71.02 108.358 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.76 13.83 9.13 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 62.32 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.73 126.74 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.746 . . . . 75.23 110.982 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.5 136.06 36.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 70.43 110.33 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE2' HD11 ' A' ' 33' ' ' LEU . 59.6 t80 -91.82 124.98 36.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 75.3 110.947 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.23 105.36 51.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 73.13 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -25.53 11.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 61.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 -35.86 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 45.42 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.75 -28.97 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.43 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.87 -134.64 12.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 41.43 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -174.78 82.2 0.33 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.21 109.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -18.69 18.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 72.31 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.22 -49.51 60.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 74.25 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -85.14 -68.75 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 72.44 109.34 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.48 68.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 71.44 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.36 160.34 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 73.15 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -92.78 157.24 39.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.52 109.295 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 75.51 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.87 61.54 0.62 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.506 1.129 . . . . 73.45 111.024 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -146.62 107.33 4.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 75.12 110.42 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -66.96 167.67 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 73.43 110.058 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 11.7 t80 -60.18 -29.74 68.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 75.22 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -76.01 -17.42 59.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 74.21 109.303 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.2 18.42 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.14 109.309 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 13' ' ' TYR . 25.8 mt -87.34 156.63 53.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.54 109.357 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.788 . . . . 73.11 111.007 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.33 37.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 70.23 109.29 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -96.33 23.34 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.24 109.317 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -89.58 134.31 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 74.11 108.047 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.82 147.8 33.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 75.41 109.276 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.9 t -45.1 135.57 5.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 55.02 108.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.11 9.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 73.5 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.64 -63.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.111 . . . . 71.42 109.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 p -106.8 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.15 108.361 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.31 48.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 61.53 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.57 159.29 35.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.813 . . . . 65.43 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 74.34 111.035 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 53.6 mtmt -69.05 -19.86 64.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 72.25 109.357 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -65.45 -20.21 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 63.32 110.03 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -97.6 4.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 51.2 110.246 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -107.48 110.48 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 74.23 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -92.31 153.42 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 62.54 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 119.72 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 70.1 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 75.42 109.346 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.305 -0.628 . . . . 75.32 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.7 158.55 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 73.43 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.29 142.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 62.3 109.275 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 8.1 t -77.77 121.68 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.32 108.317 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -75.9 -1.04 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.44 110.411 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.22 -44.11 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 72.22 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.08 -56.48 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 71.02 108.338 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 114.31 13.42 9.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.12 . . . . 62.32 111.02 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -81.83 139.36 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 75.23 111.035 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.94 119.97 33.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 70.43 110.298 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -74.43 120.72 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.3 110.993 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.52 104.28 49.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 73.13 109.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 61.44 110.954 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.43 -28.24 23.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 45.42 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.87 -31.01 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.43 110.317 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.74 -163.91 46.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 41.43 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -158.14 92.37 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 73.21 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 72.31 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -63.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.25 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' OD1' ' CG2' ' A' ' 24' ' ' VAL . 11.4 p30 -75.1 -34.73 61.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 72.44 109.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 126.81 65.85 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 71.44 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' CG2' ' OD1' ' A' ' 22' ' ' ASN . 88.1 t -129.71 166.5 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 73.15 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 4.5 mptt -94.49 157.8 36.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 74.52 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.17 9.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 75.51 110.98 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.7 68.19 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.144 . . . . 73.45 111.06 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -130.85 111.52 12.18 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 0.71 . . . . 75.12 110.406 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -66.44 150.4 48.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 73.43 109.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.31 -20.42 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 75.22 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.18 -18.43 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.21 109.234 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.51 15.83 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 74.14 109.335 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.72 154.99 56.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 74.54 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 167.25 27.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 73.11 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 8.59 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 70.23 109.237 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.17 29.85 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 71.24 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -79.95 147.45 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.11 107.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.0 m -135.75 149.54 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 75.41 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -54.9 135.55 66.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 55.02 108.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.485 1.782 . . . . 73.5 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -96.58 -61.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 71.42 109.298 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 p -106.3 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.15 108.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.74 51.73 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 61.53 111.053 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.98 154.55 41.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 65.43 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 74.34 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -63.46 -14.14 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 72.25 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 m -61.88 -13.99 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.32 110.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.62 18.56 14.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 51.2 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -123.24 114.92 20.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.23 111.04 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -105.93 142.6 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 62.54 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.66 108.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 70.1 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 75.42 109.291 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 75.32 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 54.2 m-85 -148.74 144.6 27.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.43 110.935 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.2 152.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 62.3 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 3.9 t -92.26 96.36 10.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 73.32 108.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 t -65.93 -11.55 48.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.44 110.339 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.98 -55.85 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 72.22 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.85 -55.61 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.02 108.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 133.87 -9.21 4.86 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.467 1.104 . . . . 62.32 110.982 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -61.32 145.43 51.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 75.23 111.008 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -111.1 139.49 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.43 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -110.43 146.32 36.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 75.3 110.998 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -132.96 130.82 21.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.13 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.54 1.811 . . . . 61.44 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.9 -50.53 11.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 45.42 109.36 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 18.4 pt-20 -85.26 -39.76 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 74.43 110.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 89.21 -134.8 12.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.138 . . . . 41.43 111.066 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 177.65 90.03 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 0.808 . . . . 73.21 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -10.17 21.28 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 72.31 111.047 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -40.52 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.25 109.263 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -96.43 -75.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 72.44 109.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.6 40.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 71.44 110.97 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -97.42 169.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.769 . . . . 73.15 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 155.49 53.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.52 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 75.51 111.021 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.31 70.62 0.63 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 73.45 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -147.95 109.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 75.12 110.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.8 p -44.86 145.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.43 110.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 19.0 t80 -62.49 -24.01 67.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 75.22 110.97 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.15 -16.81 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 74.21 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.15 20.88 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 74.14 109.326 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -92.81 156.29 40.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.54 109.311 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 73.11 111.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 -18.27 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 70.23 109.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.78 24.32 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.24 109.334 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -93.31 140.51 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 74.11 107.991 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 m -130.84 169.37 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 75.41 109.279 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -63.74 135.93 96.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 55.02 108.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.2 10.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 73.5 111.03 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.4 t -99.32 -56.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 71.42 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.9 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 74.15 108.261 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.93 47.61 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 61.53 111.012 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.58 165.56 16.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 65.43 109.283 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.82 32.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 74.34 110.991 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -64.25 -15.77 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 72.25 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -66.37 -12.65 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.32 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -102.39 3.42 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 51.2 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.26 103.69 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 74.23 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -86.24 159.69 19.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 62.54 110.337 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.86 131.17 34.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 70.1 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 75.42 109.302 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HA ' ' CE ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 75.32 109.347 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.784 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 25.0 m-85 -122.37 134.64 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.43 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.11 153.49 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 62.3 109.289 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.6 t -87.16 137.89 31.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 73.32 108.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 p -99.97 12.49 36.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 74.44 110.388 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.15 -46.2 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 72.22 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.68 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.02 108.273 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.2 0.26 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.444 1.09 . . . . 62.32 111.051 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.25 123.43 46.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 75.23 110.996 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.95 138.01 39.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 70.43 110.289 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 47.9 t80 -96.03 165.79 12.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 3.1 t70 -152.5 104.51 2.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 73.13 109.308 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -5.69 17.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.446 1.761 . . . . 61.44 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.72 -33.31 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 45.42 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.94 -28.29 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.43 110.319 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.19 -145.33 21.32 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.518 1.136 . . . . 41.43 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -170.75 99.41 0.43 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 0.799 . . . . 73.21 109.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 72.31 111.032 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.27 -64.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 74.25 109.242 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -78.14 -68.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 72.44 109.255 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.7 76.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 71.44 110.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.04 139.38 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 0.736 . . . . 73.15 109.261 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.99 155.8 72.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 74.52 109.248 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 85.56 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.526 1.803 . . . . 75.51 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.98 64.49 0.1 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 73.45 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' CG2' HD22 ' A' ' 33' ' ' LEU . 1.5 m -134.57 106.81 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 75.12 110.388 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -51.28 148.56 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 73.43 110.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.784 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 41.4 t80 -63.39 -32.34 73.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 75.22 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -16.15 59.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 74.21 109.258 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -90.58 -24.65 20.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.14 109.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 ' CG2' ' A' ' 28' ' ' THR . 13.8 mt -42.97 154.67 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.54 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.92 21.56 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.458 1.768 . . . . 73.11 111.051 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.39 9.01 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.23 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -121.97 21.1 10.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.24 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -91.23 149.92 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 74.11 107.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.72 175.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 75.41 109.341 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.97 135.54 89.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 55.02 108.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.09 9.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 73.5 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -98.22 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 71.42 109.328 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -111.63 -70.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 74.15 108.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.68 52.94 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 61.53 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.87 157.52 33.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 65.43 109.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.81 15.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 74.34 111.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 30.8 mtmt -73.11 -15.16 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 72.25 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -65.4 -11.16 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 63.32 110.041 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.56 -25.63 12.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 51.2 110.263 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.59 123.33 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.23 111.014 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.75 168.88 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 62.54 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.76 102.8 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 70.1 109.357 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.42 109.27 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.27 -0.641 . . . . 75.32 109.27 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 30' ' ' PHE . 54.7 m-85 -144.45 148.07 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 73.43 111.011 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.22 142.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 62.3 109.285 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -77.98 147.82 34.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 73.32 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -107.74 -5.78 17.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.44 110.415 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -83.8 -63.88 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 72.22 109.319 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.1 p -90.05 -41.26 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 71.02 108.271 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 14.18 17.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 62.32 110.948 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 56.6 t80 -75.09 170.17 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 0.707 . . . . 75.23 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 1.7 pp20? -135.03 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 70.43 110.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -120.99 146.19 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.3 111.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -122.88 132.78 24.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 73.13 109.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 61.44 110.987 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.34 45.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 45.42 109.332 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -84.31 -43.48 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.43 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.24 -153.62 37.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.439 1.087 . . . . 41.43 110.948 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -155.92 99.19 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 73.21 109.241 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -40.5 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 72.31 111.076 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -59.22 -59.07 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 74.25 109.294 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -43.8 -32.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 72.44 109.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 17.8 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 71.44 111.017 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t -101.67 135.15 39.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 73.15 109.371 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.48 155.77 26.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 74.52 109.324 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.578 1.831 . . . . 75.51 111.028 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.73 53.9 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 73.45 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -141.28 138.79 33.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 0.76 . . . . 75.12 110.435 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 p -94.53 -177.01 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 73.43 109.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 29.6 t80 -78.22 -24.07 47.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 75.22 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.27 -18.01 47.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 74.21 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 -17.19 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.14 109.327 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -49.9 155.51 1.51 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 74.54 109.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 147.6 34.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 73.11 111.024 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -16.66 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.23 109.197 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -103.45 33.35 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 71.24 109.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -84.53 143.41 29.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 74.11 107.997 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.73 159.44 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 75.41 109.237 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.53 135.51 96.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 55.02 108.305 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.58 10.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 73.5 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.12 -56.18 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.42 109.313 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -71.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.15 108.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.0 46.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.166 . . . . 61.53 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.68 154.47 37.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 65.43 109.318 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.07 11.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 74.34 110.973 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -15.5 48.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.25 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 t -60.63 -16.13 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 63.32 109.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.77 21.49 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 51.2 110.257 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -123.99 113.76 18.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 74.23 111.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.98 179.62 4.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 62.54 110.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.88 134.33 34.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 70.1 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 75.42 109.277 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.324 -0.621 . . . . 75.32 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.675 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 92.7 m-85 -126.85 163.75 22.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.43 111.032 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.66 144.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 62.3 109.241 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 t -77.3 137.5 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 73.32 108.292 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -88.74 15.21 8.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 74.44 110.429 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -117.64 -50.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 72.22 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 2.1 m -94.93 -55.75 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 71.02 108.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.13 6.62 22.23 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.479 1.112 . . . . 62.32 110.982 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -73.58 139.22 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 0.815 . . . . 75.23 111.017 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -101.68 123.55 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 70.43 110.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 2.9 t80 -92.79 147.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.3 110.953 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -122.45 132.37 24.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.13 109.261 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -34.76 3.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 61.44 110.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.16 -53.93 15.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 45.42 109.319 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.33 -50.65 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 74.43 110.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.15 -124.02 7.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 41.43 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.13 95.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 73.21 109.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.573 1.828 . . . . 72.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -72.09 -42.67 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.25 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -84.6 -15.96 43.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 72.44 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.56 6.8 40.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 71.44 111.018 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.15 135.19 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 73.15 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -71.46 156.33 91.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.52 109.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.452 1.764 . . . . 75.51 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.49 55.78 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.586 1.179 . . . . 73.45 110.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.1 m -137.26 114.11 10.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 75.12 110.379 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -71.89 155.76 40.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 73.43 110.022 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 21.8 t80 -58.75 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 75.22 110.976 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -17.79 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.21 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -93.58 16.13 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.14 109.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.01 156.99 66.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 74.54 109.297 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 73.11 110.963 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.47 -15.25 15.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 70.23 109.302 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.99 25.58 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 71.24 109.26 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 84.0 t90 -102.23 162.28 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 74.11 108.04 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 4.0 m -160.08 -173.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 75.41 109.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -68.06 135.5 91.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 55.02 108.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -2.33 12.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 73.5 111.043 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 46.3 t -94.98 -62.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 71.42 109.31 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.97 -69.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 74.15 108.264 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.18 51.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 61.53 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.51 159.75 33.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 65.43 109.205 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.74 39.62 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.416 1.745 . . . . 74.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 23.6 mtmt -63.02 -17.0 61.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 72.25 109.276 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -64.87 -15.6 62.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 63.32 110.026 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -106.25 15.56 26.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 51.2 110.265 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -115.22 107.8 15.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.6 1.188 . . . . 74.23 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.39 160.68 14.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 62.54 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.64 112.99 13.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 70.1 109.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 75.42 109.293 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 mptt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.348 -0.612 . . . . 75.32 109.348 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 26.8 m-85 -110.26 165.69 11.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 73.43 111.007 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.01 149.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.362 1.039 . . . . 62.3 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 t -85.65 135.26 33.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 73.32 108.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -87.01 11.43 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.44 110.432 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -109.85 -52.39 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 72.22 109.26 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.44 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 1.0 OUTLIER -96.21 -56.92 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 71.02 108.242 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.08 7.87 11.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 62.32 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.99 144.97 36.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 75.23 110.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.18 137.53 47.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 70.43 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -105.18 145.51 30.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.185 . . . . 75.3 110.99 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -119.51 132.41 24.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 73.13 109.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.09 19.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 61.44 110.985 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.34 -29.22 28.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 45.42 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.14 -5.38 18.03 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 74.43 110.257 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 39.3 -144.98 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 41.43 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -147.56 86.44 6.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 73.21 109.291 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.93 19.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 72.31 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.65 -19.27 60.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 74.25 109.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -102.54 -52.85 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 72.44 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.82 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 71.44 111.019 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -48.82 125.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 73.15 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -60.06 155.31 45.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.52 109.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.44 9.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.537 1.809 . . . . 75.51 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.54 43.69 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 73.45 110.942 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -128.15 97.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 0.72 . . . . 75.12 110.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 p -48.98 165.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 73.43 110.008 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE2' ' CD2' ' A' ' 4' ' ' TYR . 13.6 t80 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 75.22 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.09 -18.96 55.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 74.21 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.49 23.22 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 74.14 109.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.9 mt -85.11 156.12 60.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 74.54 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 155.7 43.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 73.11 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.15 -20.79 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 70.23 109.336 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.59 30.54 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 71.24 109.296 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -94.0 147.3 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 74.11 108.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.56 158.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 75.41 109.232 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.84 135.42 8.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 55.02 108.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.498 1.788 . . . . 73.5 111.03 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 58.7 t -94.22 -62.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.42 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.16 -68.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 74.15 108.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.7 61.44 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 61.53 111.003 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 158.43 31.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 65.43 109.284 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 148.9 36.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.449 1.763 . . . . 74.34 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.36 -23.66 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.25 109.303 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -57.51 -17.8 15.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 63.32 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.54 -29.83 12.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 51.2 110.273 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.39 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.23 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.3 143.07 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 62.54 110.344 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.29 104.1 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 70.1 109.351 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 75.42 109.298 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.496 0.189 . . . . 72.34 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.79 138.14 54.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 75.53 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -106.0 160.46 15.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 75.32 109.344 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' GLU . 28.2 m-85 -139.88 167.06 22.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 73.43 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.16 146.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 62.3 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -75.64 144.88 41.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 73.32 108.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -106.85 21.59 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 74.44 110.425 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -119.56 -47.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 72.22 109.229 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 p -101.85 -49.9 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.02 108.309 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.32 4.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.433 1.083 . . . . 62.32 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -98.03 142.22 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 75.23 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -100.45 144.03 29.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 70.43 110.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 11.3 t80 -101.81 134.45 44.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 75.3 111.022 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -112.45 98.88 45.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 73.13 109.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.5 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 61.44 111.042 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.66 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 45.42 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -109.93 -2.83 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.43 110.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.13 13.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.093 . . . . 41.43 111.03 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.33 84.99 59.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 73.21 109.315 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -13.31 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 72.31 111.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.94 -21.22 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 74.25 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -108.43 -27.67 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.44 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.97 1.17 8.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 71.44 111.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -71.74 139.63 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 0.805 . . . . 73.15 109.303 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.91 155.93 88.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.52 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.95 13.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 75.51 111.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.03 49.6 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.589 1.181 . . . . 73.45 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m -134.79 114.41 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 75.12 110.5 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -77.84 167.55 21.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.43 110.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -59.0 -33.43 70.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.22 110.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 -19.69 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.21 109.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -89.54 -25.12 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.14 109.354 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 mt -45.11 158.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.54 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 166.36 29.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.413 1.743 . . . . 73.11 111.052 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.01 -16.44 47.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 70.23 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -105.62 36.69 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.24 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -91.79 153.67 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 74.11 108.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -147.97 150.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 75.41 109.256 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.93 135.39 28.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 55.02 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 73.5 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.9 t -93.5 -60.79 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 71.42 109.227 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.04 -70.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 74.15 108.231 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.15 60.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 61.53 111.053 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.23 162.1 23.73 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 65.43 109.299 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.76 21.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 74.34 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.94 -15.57 32.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 72.25 109.282 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -62.41 -17.17 58.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 63.32 109.978 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -100.84 -5.85 25.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 51.2 110.264 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -100.61 125.86 47.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 74.23 110.961 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 19.3 mm-40 -113.4 -177.71 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.54 110.264 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.17 122.09 30.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 70.1 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 75.42 109.329 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.541 0.21 . . . . 72.34 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -119.14 136.76 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.53 109.292 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -89.05 132.81 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 75.32 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -112.02 122.69 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.43 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -79.88 179.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 62.3 109.265 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.4 t -106.73 141.78 37.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.32 108.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 p -99.82 24.58 8.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 74.44 110.419 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.64 -50.99 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 72.22 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -106.65 -38.28 6.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 71.02 108.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.74 1.81 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 62.32 111.022 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 7.4 t80 -64.97 155.61 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 75.23 110.978 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -114.25 139.29 49.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 70.43 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -104.63 154.42 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.3 110.939 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -135.97 98.32 11.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 73.13 109.326 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.42 20.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 61.44 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.5 -30.1 68.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 45.42 109.289 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.9 -32.05 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.43 110.321 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.12 -158.16 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 41.43 111.031 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -160.43 85.38 1.96 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 73.21 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.04 14.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 72.31 110.975 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -70.22 -48.5 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 109.276 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -90.98 -66.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 72.44 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.89 60.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 71.44 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.83 120.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 73.15 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -55.87 155.23 11.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 74.52 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 75.51 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.17 58.26 0.48 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 73.45 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -130.0 98.22 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 0.797 . . . . 75.12 110.375 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.5 156.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 73.43 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 18.1 t80 -61.34 -38.24 86.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 75.22 111.045 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.92 -19.19 63.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 74.21 109.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.16 30.5 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.14 109.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 71.9 mt -99.98 157.65 33.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.54 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.54 42.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.441 1.758 . . . . 73.11 110.97 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.55 -15.84 61.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 70.23 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -101.84 32.01 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 71.24 109.316 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -97.05 162.56 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.11 108.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -152.82 -176.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 75.41 109.263 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.61 135.58 78.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 55.02 108.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 73.5 110.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.37 -58.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 71.42 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.48 -74.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.15 108.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.29 58.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 61.53 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.25 161.13 23.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 65.43 109.33 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.24 33.75 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.809 . . . . 74.34 110.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -64.9 -18.59 65.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.25 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -63.86 -12.96 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 63.32 109.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.76 44.61 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 51.2 110.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 14.3 m-85 -141.24 130.34 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 74.23 110.985 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.93 165.47 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 62.54 110.359 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.97 149.3 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 70.1 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 75.42 109.312 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.459 0.171 . . . . 72.34 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -86.95 -25.66 24.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 75.53 109.337 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -144.37 155.61 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 75.32 109.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.654 ' CD2' ' CG ' ' A' ' 30' ' ' PHE . 16.5 m-85 -142.79 150.28 39.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 73.43 111.055 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.12 156.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 62.3 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.5 t -90.53 126.5 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 73.32 108.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -80.97 3.2 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 74.44 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.43 -47.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.556 1.16 . . . . 72.22 109.352 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 1.8 m -103.59 -58.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 71.02 108.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.82 9.89 10.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 62.32 110.921 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.02 121.58 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 75.23 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -75.41 130.05 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.43 110.3 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CE2' HD12 ' A' ' 33' ' ' LEU . 88.5 t80 -97.42 121.26 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 75.3 110.962 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -110.24 99.92 42.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 73.13 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.19 9.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.432 1.754 . . . . 61.44 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.23 68.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 45.42 109.344 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -95.67 -37.03 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.43 110.312 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 -176.22 26.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 41.43 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.22 96.46 0.95 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.564 0.802 . . . . 73.21 109.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.17 21.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 72.31 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.38 -45.42 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 74.25 109.35 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -85.31 -16.47 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 72.44 109.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 5.98 32.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 71.44 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.06 174.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 73.15 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 160.89 54.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.52 109.252 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.3 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 75.51 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.84 49.08 0.8 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 73.45 110.986 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -124.74 94.7 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 75.12 110.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -44.24 151.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 73.43 110.014 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.654 ' CG ' ' CD2' ' A' ' 4' ' ' TYR . 27.6 t80 -55.72 -28.54 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 75.22 111.004 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.1 -21.36 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.21 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.31 19.34 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 13' ' ' TYR . 29.5 mt -80.99 155.41 72.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 74.54 109.239 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.22 25.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 73.11 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.96 -16.0 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 70.23 109.327 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.56 31.71 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.24 109.261 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.42 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 88.3 t90 -100.15 162.01 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 74.11 107.98 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 22.3 m -155.72 -178.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 75.41 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.39 135.51 75.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 55.02 108.262 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.24 9.13 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.51 1.795 . . . . 73.5 111.04 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 24.7 t -99.45 -59.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 71.42 109.236 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -70.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.15 108.314 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.72 47.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 61.53 111.029 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.61 159.04 39.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 65.43 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -178.71 4.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 74.34 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -92.91 24.23 3.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 72.25 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -100.39 -11.96 19.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 63.32 110.008 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -107.35 -27.46 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 51.2 110.217 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.26 118.68 8.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 74.23 110.936 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 52' ' ' ALA . 1.4 pp20? -90.01 172.72 8.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 62.54 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.53 117.72 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 70.1 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 75.42 109.289 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.53 0.205 . . . . 72.34 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -124.18 115.8 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 75.53 109.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 50.7 tttt -88.06 160.58 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 75.32 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 50.5 m-85 -155.13 123.07 5.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.192 . . . . 73.43 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -80.2 -179.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 62.3 109.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.14 136.04 50.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 73.32 108.288 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 p -91.77 29.47 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 74.44 110.413 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.75 -54.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 72.22 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.53 -38.88 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.02 108.258 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.37 19.86 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 62.32 110.975 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 22.6 t80 -59.25 171.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 0.801 . . . . 75.23 111.022 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.592 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.4 pt-20 -127.13 117.97 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.43 110.275 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -94.14 132.71 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 75.3 111.016 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -121.89 97.71 45.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.13 109.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 61.44 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.17 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 45.42 109.305 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -92.09 -24.64 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 74.43 110.263 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.41 -145.0 17.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 41.43 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.4 t0 178.47 84.74 0.15 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 73.21 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 72.31 111.009 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -52.41 -24.7 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.25 109.312 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.03 -51.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 72.44 109.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.79 47.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 71.44 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 25' ' ' LYS . 87.7 t -96.77 167.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 73.15 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -112.85 154.29 44.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.52 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 75.51 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.81 54.47 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 73.45 111.046 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.408 ' CG2' HD23 ' A' ' 33' ' ' LEU . 8.3 m -133.67 89.45 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 75.12 110.357 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -40.02 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 73.43 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 28.6 t80 -73.6 -14.83 61.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 75.22 110.988 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.39 -18.79 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.21 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.4 -22.3 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.14 109.24 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 28' ' ' THR . 13.1 mt -44.19 157.57 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.54 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 73.11 110.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.02 -19.33 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 70.23 109.338 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.31 23.98 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.24 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -91.75 147.14 23.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.995 -1.113 . . . . 74.11 107.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -144.6 171.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 75.41 109.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.61 135.47 71.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 55.02 108.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.43 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 73.5 110.987 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.6 t -100.59 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 71.42 109.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -73.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 74.15 108.233 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.94 56.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 61.53 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.74 157.0 38.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 65.43 109.262 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.8 40.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 74.34 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.4 mtmp? -66.79 -17.16 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.25 109.367 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 t -63.32 -15.48 57.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 63.32 110.012 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -103.18 -35.88 8.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 51.2 110.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 9.8 m-85 -53.03 134.43 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.23 111.012 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -108.77 147.76 31.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 62.54 110.368 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.95 115.74 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 70.1 109.314 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 75.42 109.226 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.557 0.218 . . . . 72.34 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -108.49 -18.84 13.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 75.53 109.325 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.75 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.32 109.329 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 58.3 m-85 -126.4 178.69 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 73.43 111.027 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.47 144.69 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 62.3 109.298 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.64 151.4 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 73.32 108.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.4 p -114.02 -16.69 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.44 110.42 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -78.63 -49.76 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 72.22 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.508 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 11.7 p -97.82 -47.42 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.02 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.37 47.16 1.45 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 62.32 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' HG22 ' A' ' 41' ' ' VAL . 2.4 t80 -117.84 131.7 56.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 75.23 110.984 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -90.98 131.53 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 70.43 110.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -91.38 143.79 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 75.3 111.065 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -116.65 99.4 52.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.13 109.265 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 61.44 111.043 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.15 93.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 45.42 109.347 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -91.43 -13.73 31.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 74.43 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.49 -146.42 40.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 41.43 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -170.86 96.63 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 73.21 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 72.31 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -69.26 -52.34 28.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.453 1.096 . . . . 74.25 109.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -86.31 -18.87 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 72.44 109.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.39 10.64 19.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 71.44 111.001 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.62 95.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.15 109.277 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 154.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.52 109.371 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 97.08 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 75.51 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.37 45.65 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 73.45 111.04 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -124.13 85.8 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 75.12 110.404 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.9 m -49.47 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 73.43 110.067 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 20.9 t80 -63.63 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 75.22 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.22 -16.69 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 74.21 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -94.01 -19.7 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 74.14 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.21 157.69 2.18 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.527 1.142 . . . . 74.54 109.307 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.16 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 73.11 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.71 -26.85 13.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.23 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -94.93 31.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 71.24 109.306 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -88.42 154.54 20.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 74.11 107.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.19 164.75 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 75.41 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.1 135.36 96.29 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 55.02 108.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.11 17.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.641 1.864 . . . . 73.5 111.031 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 11' ' ' TYR . 67.5 t -92.22 -59.54 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 71.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -74.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 74.15 108.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.4 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.416 1.072 . . . . 61.53 111.027 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.23 159.98 34.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 65.43 109.29 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.24 3.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 74.34 111.032 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.5 mtmp? -93.11 26.33 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 72.25 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -107.4 -12.1 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' OE1' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -105.81 -10.06 16.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 51.2 110.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CD1' ' OE1' ' A' ' 48' ' ' GLU . 13.3 m-85 -79.14 132.1 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.23 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.61 147.81 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 62.54 110.262 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.35 114.12 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 70.1 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 75.42 109.311 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.54 0.209 . . . . 72.34 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -64.87 -28.07 69.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 75.53 109.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -85.16 173.22 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 75.32 109.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.778 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 46.1 m-85 -141.57 165.26 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 73.43 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.81 140.13 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 62.3 109.264 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -73.72 128.92 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.32 108.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 74.44 110.421 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -117.62 -46.99 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 72.22 109.233 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.96 -64.27 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 71.02 108.245 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.06 71.2 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 62.32 110.988 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 30.2 t80 -97.39 175.09 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 75.23 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 3.3 pt-20 -133.61 62.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 70.43 110.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -58.57 132.97 55.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.3 111.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -125.49 98.33 35.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.13 109.299 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 61.44 111.065 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.93 -22.73 45.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 45.42 109.298 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.89 -6.84 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.43 110.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.53 -151.13 20.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.586 1.179 . . . . 41.43 110.986 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.62 98.69 2.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 73.21 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -7.09 18.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 72.31 110.948 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.23 -30.6 43.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 74.25 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.16 173.16 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.44 109.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.86 58.43 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 71.44 111.037 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 t -116.99 143.95 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 73.15 109.313 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -84.97 157.58 59.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 74.52 109.344 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 106.3 2.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.759 . . . . 75.51 111.082 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.57 65.92 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 73.45 111.003 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -139.33 120.47 14.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 0.736 . . . . 75.12 110.416 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -67.16 148.81 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 73.43 110.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 11.2 t80 -55.51 -33.23 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 75.22 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -73.75 -21.04 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.21 109.335 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -95.47 27.52 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.14 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.25 156.99 36.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.54 109.343 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.61 26.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 73.11 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.88 8.77 33.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 70.23 109.262 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.18 21.93 10.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 71.24 109.32 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -95.31 153.17 17.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.11 108.034 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -145.02 -177.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 75.41 109.333 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.61 135.54 78.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 55.02 108.22 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -0.23 9.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 73.5 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.87 -60.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.42 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 -66.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.15 108.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.17 54.66 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 61.53 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.82 165.65 12.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 65.43 109.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.38 20.55 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.807 . . . . 74.34 111.022 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -64.79 -16.47 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.25 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -18.29 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 63.32 109.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.02 32.56 5.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 51.2 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -132.43 116.07 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.23 111.049 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -114.81 167.62 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 62.54 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.0 128.76 34.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 70.1 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 75.42 109.338 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.549 0.214 . . . . 72.34 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.85 124.51 35.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 75.53 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -116.79 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 75.32 109.278 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 69.5 m-85 -140.33 166.85 23.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 73.43 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.52 146.16 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 62.3 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.77 131.6 35.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 73.32 108.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -87.62 6.68 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 74.44 110.378 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -100.27 -43.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 72.22 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -107.97 -55.09 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 71.02 108.27 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.36 3.09 10.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.131 . . . . 62.32 110.996 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.66 147.42 52.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 75.23 110.958 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.88 126.85 53.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 70.43 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 20.4 t80 -92.63 129.71 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 75.3 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -109.98 100.3 42.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 73.13 109.269 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.0 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 61.44 111.029 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.58 -44.91 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 45.42 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -112.91 -15.21 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 74.43 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.79 -125.57 8.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 41.43 111.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.95 99.05 0.74 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.753 . . . . 73.21 109.281 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.77 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 72.31 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.04 -53.86 29.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 74.25 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -79.8 -55.37 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 72.44 109.317 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.01 71.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 71.44 111.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.73 136.43 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 73.15 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -49.26 155.34 1.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.52 109.244 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 75.51 111.003 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.87 71.27 0.4 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 73.45 111.029 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -132.56 100.11 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 0.722 . . . . 75.12 110.383 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -55.36 158.78 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 73.43 110.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 23.9 t80 -60.73 -27.22 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 75.22 111.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.12 -18.48 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 74.21 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -22.53 23.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 74.14 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.85 158.81 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 74.54 109.288 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 178.4 7.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.451 1.764 . . . . 73.11 111.022 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.27 8.63 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 70.23 109.277 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -122.66 18.68 10.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 71.24 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -86.46 151.37 23.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.997 -1.112 . . . . 74.11 107.997 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.77 168.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 75.41 109.28 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.43 135.57 96.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 55.02 108.296 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 73.5 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.478 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 39.1 t -99.38 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.42 109.3 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -71.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.158 . . . . 74.15 108.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.33 45.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.09 . . . . 61.53 111.006 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.56 165.73 17.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 65.43 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.96 -179.26 4.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.34 111.049 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -90.35 16.0 9.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 72.25 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -96.28 -9.62 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.32 110.003 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.05 -2.06 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 51.2 110.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.48 125.59 37.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 74.23 110.95 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -108.64 154.81 21.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 62.54 110.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.24 119.29 13.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 70.1 109.349 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 75.42 109.317 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.501 0.191 . . . . 72.34 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -109.12 -22.02 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 75.53 109.319 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -87.98 132.19 34.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 75.32 109.36 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 59.1 m-85 -104.83 146.27 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 62.3 109.254 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.68 163.24 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.32 108.327 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -124.22 18.79 9.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.44 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.03 -47.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 72.22 109.346 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.14 -45.07 4.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 71.02 108.259 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 3.02 23.68 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.482 1.114 . . . . 62.32 111.002 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -69.33 141.69 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 75.23 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 141.73 33.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 70.43 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 88.1 t80 -94.95 128.53 41.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.3 111.052 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.97 100.32 42.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 73.13 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -11.68 21.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 61.44 110.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.89 90.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 45.42 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -105.11 -3.24 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.43 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -125.57 9.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 41.43 110.962 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' CE1' ' A' ' 13' ' ' TYR . 5.4 m-20 178.87 99.86 0.16 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 73.21 109.273 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -9.83 20.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 72.31 111.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.94 -31.41 68.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 74.25 109.36 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -109.98 -24.45 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 72.44 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.52 1.17 26.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 71.44 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.91 142.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 73.15 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -77.02 157.23 81.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.52 109.228 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.95 14.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.418 1.746 . . . . 75.51 111.05 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.94 41.16 2.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 73.45 111.032 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -121.82 87.85 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 75.12 110.379 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -47.33 157.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 73.43 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 14.0 t80 -67.25 -19.32 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 75.22 111.04 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.25 -19.35 26.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 74.21 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.62 -16.12 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 74.14 109.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -49.88 157.73 1.01 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 74.54 109.343 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 73.11 110.96 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.3 8.64 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 70.23 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.56 16.33 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 71.24 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -78.08 148.59 34.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.11 108.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.32 161.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.41 109.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.37 135.42 76.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 55.02 108.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.12 9.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 73.5 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -100.69 -58.96 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 71.42 109.279 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 -72.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 74.15 108.287 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.02 48.78 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 61.53 111.045 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.73 155.61 39.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 65.43 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 164.86 32.59 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.792 . . . . 74.34 111.033 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -69.15 -16.8 63.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 72.25 109.229 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -64.15 -12.4 39.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 63.32 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.49 -31.12 9.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 51.2 110.275 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.31 132.87 50.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.087 . . . . 74.23 111.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.0 158.04 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 62.54 110.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 112.6 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 70.1 109.335 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 75.42 109.364 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.578 0.227 . . . . 72.34 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -125.78 156.54 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 75.53 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -141.3 158.51 43.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 75.32 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.442 ' CG ' ' CE2' ' A' ' 30' ' ' PHE . 20.9 m-85 -132.1 163.76 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.43 111.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.53 147.62 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 62.3 109.346 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -83.08 120.24 25.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 73.32 108.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -83.97 7.75 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 74.44 110.42 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -93.98 -50.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 72.22 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -107.93 -48.81 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 71.02 108.285 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.38 0.35 9.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 62.32 110.994 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -70.54 127.44 32.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 0.788 . . . . 75.23 110.976 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -87.67 125.82 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 70.43 110.238 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.478 ' CE2' HD13 ' A' ' 33' ' ' LEU . 19.3 t80 -81.26 132.86 35.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.3 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -111.75 99.96 46.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 73.13 109.264 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.4 Cg_endo -74.93 -3.67 14.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 61.44 111.051 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.46 -16.99 56.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 45.42 109.267 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -122.93 2.42 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 74.43 110.29 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.07 -124.17 31.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 41.43 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -167.14 99.91 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 73.21 109.254 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.35 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 72.31 111.049 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.26 -29.02 24.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.25 109.275 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -118.29 -175.94 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 72.44 109.271 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.87 72.2 2.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 71.44 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.84 149.35 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 73.15 109.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.52 156.16 37.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.52 109.231 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 88.34 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 75.51 111.024 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.31 66.25 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 73.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -136.64 109.72 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 0.729 . . . . 75.12 110.394 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 p -54.36 157.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 73.43 109.997 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' ' CG ' ' A' ' 4' ' ' TYR . 16.6 t80 -62.37 -35.14 78.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 75.22 111.015 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.93 -18.13 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.21 109.256 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.27 -18.49 36.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.14 109.268 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD13 ' CE2' ' A' ' 13' ' ' TYR . 93.1 mt -55.97 156.48 9.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.54 109.264 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.16 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 73.11 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 8.56 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.052 . . . . 70.23 109.33 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.66 29.12 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 71.24 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -90.4 154.34 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 74.11 108.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.41 -179.22 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 75.41 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -78.68 135.5 60.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 55.02 108.315 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 73.5 111.044 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.6 -59.56 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 71.42 109.247 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -71.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 74.15 108.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 56.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 61.53 111.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.77 156.68 38.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 65.43 109.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.08 25.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 74.34 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -58.91 -20.24 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 72.25 109.338 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.8 p -54.27 -22.38 11.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 63.32 110.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.66 -29.08 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 51.2 110.307 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -75.21 130.91 39.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.23 111.016 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 2.9 mm-40 -121.6 -178.62 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 62.54 110.323 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.16 123.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 70.1 109.388 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 75.42 109.334 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.458 0.171 . . . . 72.34 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.81 -23.83 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 75.53 109.209 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -77.67 168.24 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.32 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 51.7 m-85 -148.66 128.37 13.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 73.43 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -103.73 126.95 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 62.3 109.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.83 161.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.32 108.322 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -116.66 2.44 12.97 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 74.44 110.397 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -99.66 -49.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.22 109.372 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -113.31 -61.98 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 71.02 108.296 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.66 72.66 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 62.32 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 13' ' ' TYR . 5.6 t80 -118.84 108.07 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 75.23 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' TYR . 2.7 pt-20 -73.39 65.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 70.43 110.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 73.5 t80 -37.61 138.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -111.8 102.66 54.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 73.13 109.244 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.26 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.541 1.811 . . . . 61.44 110.997 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.79 -27.7 36.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 45.42 109.349 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -126.98 9.07 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 74.43 110.26 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.09 -121.71 26.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.441 1.088 . . . . 41.43 110.972 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -147.47 100.05 3.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 73.21 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.48 16.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 72.31 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.66 -39.05 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 74.25 109.258 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -114.01 -176.83 2.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 72.44 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.36 70.05 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 71.44 111.034 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -135.41 139.35 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 73.15 109.304 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -91.61 156.84 42.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 74.52 109.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -7.1 18.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 75.51 111.101 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.15 37.32 3.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 73.45 111.008 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -135.84 117.46 14.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 75.12 110.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -81.86 176.52 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 73.43 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 29.4 t80 -72.28 -27.06 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 75.22 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.05 -22.33 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 74.21 109.278 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -88.53 -20.29 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.14 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -48.24 154.94 0.98 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.182 . . . . 74.54 109.307 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.11 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.7 -14.73 14.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 70.23 109.318 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -102.01 28.97 5.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 71.24 109.259 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.492 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 82.4 t90 -90.15 163.57 14.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 74.11 108.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 27.1 m -157.35 163.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 75.41 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.35 135.23 93.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 55.02 108.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.95 -6.62 18.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 73.5 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.8 t -91.22 -58.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 71.42 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.86 -70.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 74.15 108.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.02 54.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 61.53 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.45 168.8 7.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.588 0.816 . . . . 65.43 109.255 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.59 16.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 74.34 111.018 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -64.75 -15.82 62.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 72.25 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -62.6 -15.65 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.32 109.948 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -107.69 24.11 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 51.2 110.277 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.68 115.88 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 74.23 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -104.89 160.18 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 62.54 110.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.19 132.94 34.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 70.1 109.263 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 75.42 109.366 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.535 0.207 . . . . 72.34 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -97.95 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 75.53 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 5.9 mtmp? -113.77 168.13 10.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 75.32 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 19.4 m-85 -155.07 147.75 24.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 73.43 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 51' ' ' ALA . 14.7 p -109.07 147.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 62.3 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.71 124.7 37.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 73.32 108.292 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -76.64 -2.29 32.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 74.44 110.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.47 -44.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 72.22 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -107.57 -59.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 71.02 108.334 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.76 11.75 9.09 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.477 1.111 . . . . 62.32 111.018 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.26 151.93 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 75.23 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.48 122.1 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 70.43 110.305 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -91.96 114.0 26.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 75.3 111.021 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.07 100.09 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 73.13 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 61.44 111.003 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.06 -22.92 65.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 45.42 109.234 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.16 -29.09 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.43 110.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.14 -174.82 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 41.43 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.99 97.44 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 73.21 109.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.89 19.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 72.31 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.88 -28.58 66.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 74.25 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -110.25 -22.65 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.44 109.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.86 13.96 14.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 71.44 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.43 157.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 73.15 109.264 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -94.46 162.28 26.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.52 109.216 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.02 10.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 75.51 111.024 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 50.41 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.513 1.133 . . . . 73.45 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -127.21 107.2 9.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 75.12 110.382 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -66.95 153.23 44.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 73.43 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 6.7 t80 -61.14 -26.91 68.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 75.22 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.25 -14.46 59.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 74.21 109.29 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -103.71 20.43 18.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.14 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 mt -83.59 155.36 65.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.54 109.255 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.537 1.809 . . . . 73.11 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.87 8.59 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 70.23 109.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -125.26 26.8 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 71.24 109.294 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -79.61 156.87 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 74.11 107.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -152.19 146.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 75.41 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.6 t -50.9 135.51 27.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 55.02 108.262 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -0.29 9.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 73.5 111.04 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.501 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 94.4 t -96.39 -61.68 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 71.42 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.76 -63.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 74.15 108.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.95 48.71 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 61.53 110.929 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.16 154.87 37.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 65.43 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.41 6.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.782 . . . . 74.34 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -14.82 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 72.25 109.31 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -52.49 -21.26 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 63.32 110.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.88 -71.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 51.2 110.312 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -39.37 136.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.23 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 15.1 pt-20 -119.44 -52.46 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.54 110.231 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . -171.14 169.08 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 70.1 109.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 75.42 109.374 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' CB ' ' HD2' ' A' ' 2' ' ' LYS . 2.2 mpt? . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.476 0.179 . . . . 72.34 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -125.38 116.05 21.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 75.53 109.315 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -63.68 172.25 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 75.32 109.272 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.696 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 50.0 m-85 -140.17 122.58 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.43 110.994 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 6' ' ' CYS . 2.5 p -118.29 146.46 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 62.3 109.336 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' N ' HG21 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -86.27 119.39 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 73.32 108.26 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -96.9 35.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.057 . . . . 74.44 110.439 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -127.62 -48.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 72.22 109.328 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.491 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 21.5 p -106.97 -49.4 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 71.02 108.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 63.19 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 62.32 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CE2' ' HG2' ' A' ' 40' ' ' PRO . 27.3 t80 -128.88 153.73 47.19 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 0.784 . . . . 75.23 110.998 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.63 128.67 55.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 70.43 110.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -101.42 132.76 46.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 75.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 17' ' ' GLU . 6.3 t70 -109.94 100.3 42.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.13 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.584 1.834 . . . . 61.44 110.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.88 -28.98 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 45.42 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 9.8 pt-20 -111.56 -22.51 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.43 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 -127.25 9.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 41.43 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -166.77 99.58 0.67 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 73.21 109.3 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.548 1.815 . . . . 72.31 110.958 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -77.34 -28.7 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 74.25 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -124.03 -176.94 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 72.44 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.09 67.25 2.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 71.44 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -125.4 169.31 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 73.15 109.337 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 158.28 72.88 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 74.52 109.341 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.75 18.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 75.51 111.021 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.72 48.53 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 73.45 110.984 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -141.55 138.92 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 75.12 110.409 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -92.66 166.31 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 73.43 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 12.4 t80 -72.66 -31.63 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.22 110.977 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.08 -18.56 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 74.21 109.3 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -88.02 -23.75 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 74.14 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -41.77 155.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.54 109.305 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.821 . . . . 73.11 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.94 8.54 22.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 70.23 109.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -119.89 19.12 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 71.24 109.326 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -89.22 156.94 18.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.975 -1.121 . . . . 74.11 107.975 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.3 m -152.95 166.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 75.41 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.51 135.54 85.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 55.02 108.282 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.493 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.94 -0.81 10.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 73.5 111.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 t -97.85 -58.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 71.42 109.249 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.89 -71.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 74.15 108.239 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.04 47.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 61.53 110.993 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.1 166.71 20.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 0.731 . . . . 65.43 109.343 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 153.26 41.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 74.34 110.995 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -63.65 -14.51 52.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 72.25 109.305 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -76.88 -10.73 59.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 63.32 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -105.35 14.82 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 51.2 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -105.75 102.22 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 74.23 111.078 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.17 118.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.54 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.19 99.46 7.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 70.1 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 75.42 109.283 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.473 0.178 . . . . 72.34 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -84.08 -16.24 44.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 75.53 109.336 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 6.8 mtpm? -106.23 169.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 75.32 109.27 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 61.1 m-85 -152.79 156.12 38.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 73.43 111.003 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.47 148.25 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 62.3 109.354 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.19 141.56 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.32 108.349 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.2 p -93.99 2.31 56.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 74.44 110.43 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -101.09 -44.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 72.22 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 1.7 m -100.69 -58.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 71.02 108.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.01 8.49 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 62.32 111.01 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 14.0 t80 -82.85 155.63 24.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 75.23 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 7.1 pt-20 -113.04 136.49 52.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 70.43 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.38 140.35 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 75.3 110.991 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -110.2 100.07 42.53 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 73.13 109.324 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.92 19.6 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 61.44 111.051 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.46 -49.81 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 45.42 109.333 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.44 12.62 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 74.43 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.25 -130.35 50.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 41.43 111.057 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 34.4 t70 -166.21 102.71 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 73.21 109.295 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.92 20.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 72.31 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.4 -38.25 83.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 74.25 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' OD1' ' CG2' ' A' ' 24' ' ' VAL . 22.2 p30 -116.87 -175.18 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 72.44 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.53 66.3 3.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 71.44 111.075 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 t -112.42 106.5 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 73.15 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 154.71 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.52 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 97.04 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 75.51 110.983 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 75.83 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.123 . . . . 73.45 110.918 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -142.5 97.78 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 75.12 110.377 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -57.96 169.17 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 73.43 109.977 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 50.9 t80 -69.66 -31.04 68.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 75.22 111.043 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.44 -16.27 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.21 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.19 -23.32 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 74.14 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.1 mt -43.99 158.55 0.26 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 74.54 109.329 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.449 1.762 . . . . 73.11 110.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 8.72 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 70.23 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.36 23.96 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 71.24 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -88.44 141.42 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.11 108.024 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.99 154.85 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 75.41 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.29 135.44 5.45 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 55.02 108.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -0.17 9.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 73.5 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.445 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 99.6 t -97.79 -61.97 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 71.42 109.276 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.88 -68.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 74.15 108.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.48 60.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 61.53 111.003 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.01 164.73 14.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 65.43 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 156.84 42.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.812 . . . . 74.34 111.036 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -65.1 -16.11 63.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 72.25 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -65.91 -19.34 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 63.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.56 -33.2 16.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 51.2 110.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.16 134.24 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.23 111.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -112.44 155.83 23.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 62.54 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.19 105.12 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 70.1 109.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 75.42 109.368 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.472 0.177 . . . . 72.34 110.978 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 tptm 75.78 14.71 2.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 75.53 109.269 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -127.69 154.79 44.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 75.32 109.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -115.39 157.53 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 73.43 110.935 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.52 159.26 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 62.3 109.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 t -92.29 121.4 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 73.32 108.239 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 p -75.69 -2.34 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.44 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.62 -51.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 72.22 109.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.4 -58.66 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 71.02 108.358 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.76 13.83 9.13 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 62.32 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.73 126.74 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.746 . . . . 75.23 110.982 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.5 136.06 36.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 70.43 110.33 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE2' HD11 ' A' ' 33' ' ' LEU . 59.6 t80 -91.82 124.98 36.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 75.3 110.947 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.23 105.36 51.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 73.13 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -25.53 11.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 61.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.69 -35.86 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 45.42 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.75 -28.97 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.43 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.87 -134.64 12.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 41.43 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -174.78 82.2 0.33 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.21 109.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -18.69 18.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 72.31 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.22 -49.51 60.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 74.25 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -85.14 -68.75 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 72.44 109.34 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.48 68.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 71.44 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.36 160.34 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 73.15 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -92.78 157.24 39.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.52 109.295 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 75.51 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.87 61.54 0.62 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.506 1.129 . . . . 73.45 111.024 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -146.62 107.33 4.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 75.12 110.42 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -66.96 167.67 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 73.43 110.058 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 11.7 t80 -60.18 -29.74 68.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 75.22 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -76.01 -17.42 59.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 74.21 109.303 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.2 18.42 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.14 109.309 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 13' ' ' TYR . 25.8 mt -87.34 156.63 53.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.54 109.357 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.788 . . . . 73.11 111.007 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.33 37.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 70.23 109.29 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -96.33 23.34 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.24 109.317 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -89.58 134.31 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 74.11 108.047 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.82 147.8 33.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 75.41 109.276 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.9 t -45.1 135.57 5.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 55.02 108.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.11 9.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 73.5 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.64 -63.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.111 . . . . 71.42 109.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 p -106.8 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.15 108.361 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.31 48.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 61.53 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.57 159.29 35.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.813 . . . . 65.43 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 74.34 111.035 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 53.6 mtmt -69.05 -19.86 64.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 72.25 109.357 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -65.45 -20.21 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 63.32 110.03 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -97.6 4.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 51.2 110.246 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -107.48 110.48 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 74.23 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -92.31 153.42 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 62.54 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 119.72 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 70.1 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 75.42 109.346 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.577 0.227 . . . . 72.34 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.1 104.66 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 75.53 109.312 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -123.21 156.07 35.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 75.32 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.7 158.55 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 73.43 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.29 142.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 62.3 109.275 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 8.1 t -77.77 121.68 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 73.32 108.317 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -75.9 -1.04 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.44 110.411 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.22 -44.11 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 72.22 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.08 -56.48 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 71.02 108.338 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 114.31 13.42 9.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.12 . . . . 62.32 111.02 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -81.83 139.36 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 75.23 111.035 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.94 119.97 33.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 70.43 110.298 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -74.43 120.72 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.3 110.993 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.52 104.28 49.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 73.13 109.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 61.44 110.954 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.43 -28.24 23.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 45.42 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.87 -31.01 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.43 110.317 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.74 -163.91 46.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 41.43 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -158.14 92.37 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 73.21 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 72.31 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -63.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.25 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' OD1' ' CG2' ' A' ' 24' ' ' VAL . 11.4 p30 -75.1 -34.73 61.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 72.44 109.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 126.81 65.85 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 71.44 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' CG2' ' OD1' ' A' ' 22' ' ' ASN . 88.1 t -129.71 166.5 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 73.15 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 4.5 mptt -94.49 157.8 36.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 74.52 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.17 9.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 75.51 110.98 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.7 68.19 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.144 . . . . 73.45 111.06 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -130.85 111.52 12.18 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 0.71 . . . . 75.12 110.406 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -66.44 150.4 48.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 73.43 109.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.31 -20.42 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 75.22 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.18 -18.43 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.21 109.234 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.51 15.83 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 74.14 109.335 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.72 154.99 56.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 74.54 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 167.25 27.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 73.11 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 8.59 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 70.23 109.237 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.17 29.85 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 71.24 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -79.95 147.45 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.11 107.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.0 m -135.75 149.54 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 75.41 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -54.9 135.55 66.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 55.02 108.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.485 1.782 . . . . 73.5 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -96.58 -61.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 71.42 109.298 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 p -106.3 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 74.15 108.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.74 51.73 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 61.53 111.053 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.98 154.55 41.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 65.43 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 74.34 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -63.46 -14.14 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 72.25 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 m -61.88 -13.99 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.32 110.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -116.62 18.56 14.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 51.2 110.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -123.24 114.92 20.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.23 111.04 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -105.93 142.6 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 62.54 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.66 108.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 70.1 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 75.42 109.291 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.497 0.189 . . . . 72.34 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -84.59 -29.26 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 75.53 109.368 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 153.98 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 75.32 109.315 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 54.2 m-85 -148.74 144.6 27.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.43 110.935 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.2 152.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 62.3 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 3.9 t -92.26 96.36 10.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 73.32 108.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 t -65.93 -11.55 48.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.44 110.339 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.98 -55.85 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 72.22 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.85 -55.61 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.02 108.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 133.87 -9.21 4.86 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.467 1.104 . . . . 62.32 110.982 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -61.32 145.43 51.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 75.23 111.008 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -111.1 139.49 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.43 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -110.43 146.32 36.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 75.3 110.998 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -132.96 130.82 21.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.13 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.54 1.811 . . . . 61.44 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.9 -50.53 11.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 45.42 109.36 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 18.4 pt-20 -85.26 -39.76 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 74.43 110.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 89.21 -134.8 12.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.138 . . . . 41.43 111.066 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 177.65 90.03 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 0.808 . . . . 73.21 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -10.17 21.28 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 72.31 111.047 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -40.52 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.25 109.263 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -96.43 -75.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 72.44 109.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.6 40.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 71.44 110.97 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -97.42 169.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.769 . . . . 73.15 109.279 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 155.49 53.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.52 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 75.51 111.021 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.31 70.62 0.63 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 73.45 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -147.95 109.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 75.12 110.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.8 p -44.86 145.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 73.43 110.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 19.0 t80 -62.49 -24.01 67.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 75.22 110.97 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.15 -16.81 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 74.21 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.15 20.88 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 74.14 109.326 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -92.81 156.29 40.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.54 109.311 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 73.11 111.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 -18.27 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 70.23 109.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.78 24.32 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.24 109.334 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -93.31 140.51 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 74.11 107.991 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 m -130.84 169.37 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 75.41 109.279 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -63.74 135.93 96.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 55.02 108.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.2 10.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 73.5 111.03 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.4 t -99.32 -56.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 71.42 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.9 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 74.15 108.261 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.93 47.61 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 61.53 111.012 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.58 165.56 16.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 65.43 109.283 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.82 32.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 74.34 110.991 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -64.25 -15.77 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 72.25 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -66.37 -12.65 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.32 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -102.39 3.42 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 51.2 110.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.26 103.69 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 74.23 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -86.24 159.69 19.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 62.54 110.337 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.86 131.17 34.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 70.1 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 75.42 109.302 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 mmt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.521 0.201 . . . . 72.34 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -99.25 17.95 18.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 75.53 109.247 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HA ' ' CE ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -83.0 154.27 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 75.32 109.347 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.784 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 25.0 m-85 -122.37 134.64 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.43 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.11 153.49 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 62.3 109.289 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.6 t -87.16 137.89 31.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 73.32 108.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 p -99.97 12.49 36.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 74.44 110.388 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.15 -46.2 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 72.22 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.68 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.02 108.273 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.2 0.26 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.444 1.09 . . . . 62.32 111.051 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.25 123.43 46.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 75.23 110.996 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.95 138.01 39.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 70.43 110.289 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 47.9 t80 -96.03 165.79 12.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 13' ' ' TYR . 3.1 t70 -152.5 104.51 2.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 73.13 109.308 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -5.69 17.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.446 1.761 . . . . 61.44 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.72 -33.31 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 45.42 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.94 -28.29 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.43 110.319 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.19 -145.33 21.32 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.518 1.136 . . . . 41.43 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -170.75 99.41 0.43 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 0.799 . . . . 73.21 109.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 72.31 111.032 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.27 -64.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 74.25 109.242 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -78.14 -68.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 72.44 109.255 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.7 76.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 71.44 110.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.04 139.38 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 0.736 . . . . 73.15 109.261 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.99 155.8 72.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 74.52 109.248 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 85.56 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.526 1.803 . . . . 75.51 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.98 64.49 0.1 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 73.45 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' CG2' HD22 ' A' ' 33' ' ' LEU . 1.5 m -134.57 106.81 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 75.12 110.388 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -51.28 148.56 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 73.43 110.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.784 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 41.4 t80 -63.39 -32.34 73.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 75.22 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -16.15 59.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 74.21 109.258 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -90.58 -24.65 20.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.14 109.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD22 ' CG2' ' A' ' 28' ' ' THR . 13.8 mt -42.97 154.67 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.54 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.92 21.56 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.458 1.768 . . . . 73.11 111.051 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.39 9.01 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.23 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -121.97 21.1 10.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.24 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -91.23 149.92 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 74.11 107.977 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.72 175.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 75.41 109.341 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.97 135.54 89.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 55.02 108.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.09 9.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 73.5 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -98.22 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 71.42 109.328 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -111.63 -70.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 74.15 108.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.68 52.94 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 61.53 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.87 157.52 33.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 65.43 109.259 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.81 15.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 74.34 111.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 30.8 mtmt -73.11 -15.16 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 72.25 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -65.4 -11.16 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 63.32 110.041 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.56 -25.63 12.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 51.2 110.263 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.59 123.33 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.23 111.014 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.75 168.88 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 62.54 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.76 102.8 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 70.1 109.357 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.42 109.27 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.503 0.192 . . . . 72.34 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.66 -15.93 62.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.53 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -97.75 156.76 16.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 75.32 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 30' ' ' PHE . 54.7 m-85 -144.45 148.07 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 73.43 111.011 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.22 142.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 62.3 109.285 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -77.98 147.82 34.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 73.32 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -107.74 -5.78 17.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.44 110.415 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -83.8 -63.88 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 72.22 109.319 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.1 p -90.05 -41.26 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 71.02 108.271 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 14.18 17.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 62.32 110.948 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 56.6 t80 -75.09 170.17 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 0.707 . . . . 75.23 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 1.7 pp20? -135.03 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 70.43 110.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -120.99 146.19 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.3 111.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -122.88 132.78 24.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 73.13 109.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 61.44 110.987 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.34 45.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 45.42 109.332 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -84.31 -43.48 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.43 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.24 -153.62 37.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.439 1.087 . . . . 41.43 110.948 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -155.92 99.19 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 73.21 109.241 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -40.5 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 72.31 111.076 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -59.22 -59.07 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 74.25 109.294 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -43.8 -32.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 72.44 109.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 17.8 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 71.44 111.017 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t -101.67 135.15 39.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 73.15 109.371 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.48 155.77 26.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 74.52 109.324 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.578 1.831 . . . . 75.51 111.028 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.73 53.9 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 73.45 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -141.28 138.79 33.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 0.76 . . . . 75.12 110.435 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 p -94.53 -177.01 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 73.43 109.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 29.6 t80 -78.22 -24.07 47.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 75.22 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.27 -18.01 47.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 74.21 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 -17.19 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.14 109.327 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -49.9 155.51 1.51 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 74.54 109.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 147.6 34.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 73.11 111.024 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -16.66 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.23 109.197 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -103.45 33.35 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 71.24 109.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -84.53 143.41 29.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 74.11 107.997 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.73 159.44 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 75.41 109.237 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.53 135.51 96.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 55.02 108.305 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.58 10.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 73.5 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.12 -56.18 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.42 109.313 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -71.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 74.15 108.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.0 46.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.166 . . . . 61.53 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.68 154.47 37.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 65.43 109.318 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.07 11.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 74.34 110.973 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -15.5 48.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.25 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 t -60.63 -16.13 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 63.32 109.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -115.77 21.49 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 51.2 110.257 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -123.99 113.76 18.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 74.23 111.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.98 179.62 4.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 62.54 110.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.88 134.33 34.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 70.1 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 75.42 109.277 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mmm . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.475 0.179 . . . . 72.34 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.18 17.34 12.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 75.53 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -109.69 160.49 16.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 75.32 109.324 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.675 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 92.7 m-85 -126.85 163.75 22.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.43 111.032 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.66 144.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 62.3 109.241 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 t -77.3 137.5 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 73.32 108.292 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -88.74 15.21 8.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 74.44 110.429 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -117.64 -50.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 72.22 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 2.1 m -94.93 -55.75 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 71.02 108.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.13 6.62 22.23 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.479 1.112 . . . . 62.32 110.982 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -73.58 139.22 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 0.815 . . . . 75.23 111.017 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -101.68 123.55 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 70.43 110.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 2.9 t80 -92.79 147.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.3 110.953 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -122.45 132.37 24.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.13 109.261 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -34.76 3.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 61.44 110.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.16 -53.93 15.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 45.42 109.319 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.33 -50.65 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 74.43 110.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.15 -124.02 7.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 41.43 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.13 95.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 73.21 109.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.573 1.828 . . . . 72.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -72.09 -42.67 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.25 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -84.6 -15.96 43.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 72.44 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.56 6.8 40.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 71.44 111.018 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.15 135.19 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 73.15 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -71.46 156.33 91.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.52 109.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.452 1.764 . . . . 75.51 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.49 55.78 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.586 1.179 . . . . 73.45 110.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.1 m -137.26 114.11 10.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 75.12 110.379 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -71.89 155.76 40.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 73.43 110.022 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 21.8 t80 -58.75 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 75.22 110.976 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -17.79 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.21 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -93.58 16.13 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.14 109.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.01 156.99 66.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 74.54 109.297 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 73.11 110.963 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.47 -15.25 15.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 70.23 109.302 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.99 25.58 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 71.24 109.26 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 84.0 t90 -102.23 162.28 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 74.11 108.04 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 4.0 m -160.08 -173.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 75.41 109.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -68.06 135.5 91.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 55.02 108.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -2.33 12.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 73.5 111.043 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 46.3 t -94.98 -62.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 71.42 109.31 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.97 -69.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 74.15 108.264 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.18 51.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 61.53 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.51 159.75 33.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 65.43 109.205 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.74 39.62 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.416 1.745 . . . . 74.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 23.6 mtmt -63.02 -17.0 61.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 72.25 109.276 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -64.87 -15.6 62.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 63.32 110.026 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -106.25 15.56 26.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 51.2 110.265 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -115.22 107.8 15.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.6 1.188 . . . . 74.23 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.39 160.68 14.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 62.54 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.64 112.99 13.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 70.1 109.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 75.42 109.293 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.485 0.183 . . . . 72.34 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -147.88 129.4 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 75.53 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -71.96 147.32 47.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 75.32 109.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 26.8 m-85 -110.26 165.69 11.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 73.43 111.007 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.01 149.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.362 1.039 . . . . 62.3 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 t -85.65 135.26 33.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 73.32 108.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -87.01 11.43 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.44 110.432 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -109.85 -52.39 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 72.22 109.26 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.44 ' SG ' ' CG1' ' A' ' 41' ' ' VAL . 1.0 OUTLIER -96.21 -56.92 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 71.02 108.242 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.08 7.87 11.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 62.32 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.99 144.97 36.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 75.23 110.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.18 137.53 47.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 70.43 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -105.18 145.51 30.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.185 . . . . 75.3 110.99 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -119.51 132.41 24.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 73.13 109.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.09 19.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 61.44 110.985 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.34 -29.22 28.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 45.42 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.14 -5.38 18.03 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 74.43 110.257 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 39.3 -144.98 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 41.43 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -147.56 86.44 6.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 73.21 109.291 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.93 19.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 72.31 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.65 -19.27 60.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 74.25 109.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -102.54 -52.85 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 72.44 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.82 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 71.44 111.019 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -48.82 125.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 73.15 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -60.06 155.31 45.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.52 109.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.44 9.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.537 1.809 . . . . 75.51 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.54 43.69 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 73.45 110.942 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -128.15 97.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 0.72 . . . . 75.12 110.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 p -48.98 165.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 73.43 110.008 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE2' ' CD2' ' A' ' 4' ' ' TYR . 13.6 t80 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 75.22 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.09 -18.96 55.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 74.21 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.49 23.22 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 74.14 109.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.9 mt -85.11 156.12 60.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 74.54 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 155.7 43.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 73.11 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.15 -20.79 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 70.23 109.336 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.59 30.54 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 71.24 109.296 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -94.0 147.3 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 74.11 108.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.56 158.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 75.41 109.232 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.84 135.42 8.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 55.02 108.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.498 1.788 . . . . 73.5 111.03 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' CG1' ' SG ' ' A' ' 9' ' ' CYS . 58.7 t -94.22 -62.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.42 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.16 -68.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 74.15 108.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.7 61.44 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 61.53 111.003 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 158.43 31.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 65.43 109.284 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 148.9 36.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.449 1.763 . . . . 74.34 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.36 -23.66 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.25 109.303 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -57.51 -17.8 15.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 63.32 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.54 -29.83 12.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 51.2 110.273 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.39 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.23 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.3 143.07 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 62.54 110.344 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.29 104.1 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 70.1 109.351 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 75.42 109.298 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.344 -0.613 . . . . 63.04 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' GLU . 28.2 m-85 -139.88 167.06 22.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 73.43 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.16 146.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 61.21 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -75.64 144.88 41.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.02 108.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -106.85 21.59 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 74.44 110.425 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -119.56 -47.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 54.15 109.229 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.552 ' CB ' HG11 ' A' ' 41' ' ' VAL . 1.9 p -101.85 -49.9 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.02 108.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.32 4.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.433 1.083 . . . . 51.33 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -98.03 142.22 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 75.23 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -100.45 144.03 29.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 70.43 110.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 11.3 t80 -101.81 134.45 44.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 75.3 111.022 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -112.45 98.88 45.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 63.11 109.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.483 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.5 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 45.12 111.042 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.66 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 45.42 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -109.93 -2.83 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.43 110.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.13 13.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.093 . . . . 41.43 111.03 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.33 84.99 59.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 73.21 109.315 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -13.31 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 72.31 111.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.94 -21.22 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 74.25 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.43 -27.67 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 53.24 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.97 1.17 8.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 71.44 111.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -71.74 139.63 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 0.805 . . . . 52.43 109.303 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.91 155.93 88.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.23 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.95 13.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 72.54 111.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.03 49.6 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.589 1.181 . . . . 73.45 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m -134.79 114.41 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 62.22 110.5 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -77.84 167.55 21.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 71.43 110.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -59.0 -33.43 70.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 71.5 110.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 -19.69 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.21 109.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -89.54 -25.12 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.14 109.354 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 mt -45.11 158.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.54 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 166.36 29.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.413 1.743 . . . . 73.11 111.052 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.01 -16.44 47.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 70.23 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -105.62 36.69 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.24 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -91.79 153.67 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 74.11 108.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -147.97 150.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 72.21 109.256 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.93 135.39 28.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 50.1 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 63.24 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG11 ' CB ' ' A' ' 9' ' ' CYS . 51.9 t -93.5 -60.79 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 71.42 109.227 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.04 -70.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 63.24 108.231 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.15 60.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 43.12 111.053 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -113.23 162.1 23.73 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 65.43 109.299 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -74.96 169.76 21.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 74.34 110.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.94 -15.57 32.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 72.25 109.282 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -62.41 -17.17 58.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 63.32 109.978 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.694 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 17.4 mm-40 -100.84 -5.85 25.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 50.45 110.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -100.61 125.86 47.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 74.23 110.961 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 19.3 mm-40 -113.4 -177.71 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.54 110.264 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.17 122.09 30.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 50.44 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 71.51 109.329 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 63.04 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -112.02 122.69 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.43 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -79.88 179.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 61.21 109.265 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.4 t -106.73 141.78 37.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 62.02 108.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 p -99.82 24.58 8.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 74.44 110.419 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.64 -50.99 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 54.15 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -106.65 -38.28 6.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 71.02 108.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.74 1.81 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 51.33 111.022 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CB ' HG21 ' A' ' 41' ' ' VAL . 7.4 t80 -64.97 155.61 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 75.23 110.978 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -114.25 139.29 49.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 70.43 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -104.63 154.42 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.3 110.939 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 16' ' ' ALA . 9.6 t0 -135.97 98.32 11.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 63.11 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.42 20.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 45.12 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 14' ' ' ASP . . . -68.5 -30.1 68.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 45.42 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.9 -32.05 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.43 110.321 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.12 -158.16 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 41.43 111.031 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -160.43 85.38 1.96 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 73.21 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.04 14.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 72.31 110.975 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -70.22 -48.5 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 109.276 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.98 -66.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 53.24 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.89 60.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 71.44 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.83 120.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 52.43 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -55.87 155.23 11.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 74.23 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 72.54 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.17 58.26 0.48 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 73.45 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -130.0 98.22 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 0.797 . . . . 62.22 110.375 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.5 156.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 71.43 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 18.1 t80 -61.34 -38.24 86.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.5 111.045 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.92 -19.19 63.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 74.21 109.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.16 30.5 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.14 109.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 71.9 mt -99.98 157.65 33.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.54 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.54 42.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.441 1.758 . . . . 73.11 110.97 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.55 -15.84 61.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 70.23 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -101.84 32.01 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 71.24 109.316 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.437 ' C ' HG13 ' A' ' 38' ' ' VAL . 88.0 t90 -97.05 162.56 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.11 108.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG13 ' C ' ' A' ' 37' ' ' TRP . 19.5 m -152.82 -176.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 72.21 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.61 135.58 78.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 50.1 108.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 63.24 110.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.1 t -101.37 -58.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 71.42 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.48 -74.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.24 108.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.29 58.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 43.12 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.25 161.13 23.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 65.43 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -75.0 164.24 33.75 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.809 . . . . 74.34 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -64.9 -18.59 65.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.25 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -63.86 -12.96 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 63.32 109.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.76 44.61 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 50.45 110.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 14.3 m-85 -141.24 130.34 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 74.23 110.985 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.93 165.47 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 62.54 110.359 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.97 149.3 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 50.44 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 71.51 109.312 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 63.04 109.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.654 ' CD2' ' CG ' ' A' ' 30' ' ' PHE . 16.5 m-85 -142.79 150.28 39.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 73.43 111.055 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.12 156.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 61.21 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.5 t -90.53 126.5 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 62.02 108.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -80.97 3.2 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 74.44 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.43 -47.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.556 1.16 . . . . 54.15 109.352 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.8 m -103.59 -58.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 71.02 108.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.82 9.89 10.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 51.33 110.921 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.02 121.58 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 75.23 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -75.41 130.05 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.43 110.3 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' OH ' HD21 ' A' ' 33' ' ' LEU . 88.5 t80 -97.42 121.26 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 75.3 110.962 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -110.24 99.92 42.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 63.11 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.19 9.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.432 1.754 . . . . 45.12 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.23 68.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 45.42 109.344 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -95.67 -37.03 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.43 110.312 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 -176.22 26.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 41.43 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.22 96.46 0.95 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.564 0.802 . . . . 73.21 109.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.17 21.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 72.31 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.38 -45.42 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 74.25 109.35 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.31 -16.47 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 53.24 109.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 5.98 32.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 71.44 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.5 t -65.06 174.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 52.43 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.624 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.97 160.89 54.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.23 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.3 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 72.54 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.84 49.08 0.8 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 73.45 110.986 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -124.74 94.7 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 62.22 110.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -44.24 151.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 71.43 110.014 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.654 ' CG ' ' CD2' ' A' ' 4' ' ' TYR . 27.6 t80 -55.72 -28.54 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 71.5 111.004 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.1 -21.36 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.21 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.31 19.34 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.5 mt -80.99 155.41 72.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 74.54 109.239 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.22 25.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 73.11 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.96 -16.0 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 70.23 109.327 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.56 31.71 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.24 109.261 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.5 ' O ' HG13 ' A' ' 38' ' ' VAL . 88.3 t90 -100.15 162.01 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 74.11 107.98 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 37' ' ' TRP . 22.3 m -155.72 -178.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 72.21 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.39 135.51 75.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 50.1 108.262 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.24 9.13 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.51 1.795 . . . . 63.24 111.04 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 9' ' ' CYS . 24.7 t -99.45 -59.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 71.42 109.236 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -70.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 63.24 108.314 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.72 47.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 43.12 111.029 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -91.61 159.04 39.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 65.43 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -178.71 4.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 74.34 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -92.91 24.23 3.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 72.25 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -100.39 -11.96 19.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 63.32 110.008 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 11.0 pt-20 -107.35 -27.46 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 50.45 110.217 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.26 118.68 8.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 74.23 110.936 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 52' ' ' ALA . 1.4 pp20? -90.01 172.72 8.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 62.54 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.53 117.72 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 50.44 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 71.51 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 50.7 tttt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.34 -0.615 . . . . 63.04 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 50.5 m-85 -155.13 123.07 5.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.192 . . . . 73.43 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -80.2 -179.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 61.21 109.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.14 136.04 50.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 62.02 108.288 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 p -91.77 29.47 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 74.44 110.413 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.75 -54.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 54.15 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.53 -38.88 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.02 108.258 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.37 19.86 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 51.33 110.975 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 22.6 t80 -59.25 171.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 0.801 . . . . 75.23 111.022 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.592 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.4 pt-20 -127.13 117.97 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.43 110.275 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.82 ' OH ' HD11 ' A' ' 33' ' ' LEU . 45.4 t80 -94.14 132.71 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 75.3 111.016 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -121.89 97.71 45.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 63.11 109.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 45.12 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.17 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 45.42 109.305 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -92.09 -24.64 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 74.43 110.263 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.41 -145.0 17.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 41.43 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.4 t0 178.47 84.74 0.15 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 73.21 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 72.31 111.009 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -52.41 -24.7 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.25 109.312 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.88 ' OD1' HG23 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -123.03 -51.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 53.24 109.274 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.79 47.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 71.44 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.88 HG23 ' OD1' ' A' ' 22' ' ' ASN . 87.7 t -96.77 167.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 52.43 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -112.85 154.29 44.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.23 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 72.54 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.81 54.47 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 73.45 111.046 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 m -133.67 89.45 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 62.22 110.357 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -40.02 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 71.43 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 28.6 t80 -73.6 -14.83 61.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.5 110.988 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.39 -18.79 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.21 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.4 -22.3 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.14 109.24 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.82 HD11 ' OH ' ' A' ' 13' ' ' TYR . 13.1 mt -44.19 157.57 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.54 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 73.11 110.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.02 -19.33 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 70.23 109.338 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.31 23.98 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.24 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -91.75 147.14 23.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.995 -1.113 . . . . 74.11 107.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -144.6 171.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.21 109.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.61 135.47 71.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 50.1 108.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.43 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 63.24 110.987 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 11' ' ' TYR . 72.6 t -100.59 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 71.42 109.285 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -73.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.24 108.233 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.94 56.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 43.12 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.74 157.0 38.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 65.43 109.262 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.8 40.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 74.34 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.4 mtmp? -66.79 -17.16 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.25 109.367 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 t -63.32 -15.48 57.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 63.32 110.012 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -103.18 -35.88 8.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 50.45 110.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 9.8 m-85 -53.03 134.43 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.23 111.012 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -108.77 147.76 31.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 62.54 110.368 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.95 115.74 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 50.44 109.314 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 71.51 109.226 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 63.04 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 58.3 m-85 -126.4 178.69 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 73.43 111.027 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.529 HG23 ' CA ' ' A' ' 12' ' ' GLU . 8.7 p -160.47 144.69 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 61.21 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.64 151.4 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 62.02 108.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.419 HG22 ' OE1' ' A' ' 50' ' ' GLU . 57.4 p -114.02 -16.69 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.44 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -78.63 -49.76 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 54.15 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.508 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 11.7 p -97.82 -47.42 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.02 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.37 47.16 1.45 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 51.33 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CB ' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 -117.84 131.7 56.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 75.23 110.984 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.529 ' CA ' HG23 ' A' ' 5' ' ' VAL . 6.1 pt-20 -90.98 131.53 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 70.43 110.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -91.38 143.79 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 75.3 111.065 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -116.65 99.4 52.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 63.11 109.265 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 45.12 111.043 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.15 93.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 45.42 109.347 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -91.43 -13.73 31.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 74.43 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.49 -146.42 40.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 41.43 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -170.86 96.63 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 73.21 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 72.31 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -69.26 -52.34 28.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.453 1.096 . . . . 74.25 109.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -86.31 -18.87 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 53.24 109.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.39 10.64 19.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 71.44 111.001 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.62 95.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 52.43 109.277 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 154.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.23 109.371 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 97.08 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 72.54 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.37 45.65 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 73.45 111.04 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -124.13 85.8 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 62.22 110.404 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.9 m -49.47 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 71.43 110.067 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HA ' HD12 ' A' ' 33' ' ' LEU . 20.9 t80 -63.63 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.5 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.22 -16.69 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 74.21 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -94.01 -19.7 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 74.14 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 30' ' ' PHE . 32.5 mt -52.21 157.69 2.18 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.527 1.142 . . . . 74.54 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.16 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 73.11 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.71 -26.85 13.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.23 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -94.93 31.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 71.24 109.306 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -88.42 154.54 20.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 74.11 107.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.19 164.75 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 72.21 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.1 135.36 96.29 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 50.1 108.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.11 17.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.641 1.864 . . . . 63.24 111.031 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 11' ' ' TYR . 67.5 t -92.22 -59.54 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 71.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -74.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 63.24 108.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.4 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.416 1.072 . . . . 43.12 111.027 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.47 ' HB1' ' HG2' ' A' ' 48' ' ' GLU . . . -93.23 159.98 34.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 65.43 109.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.24 3.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 74.34 111.032 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.5 mtmp? -93.11 26.33 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 72.25 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -107.4 -12.1 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' OE1' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -105.81 -10.06 16.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 50.45 110.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CD1' ' OE1' ' A' ' 48' ' ' GLU . 13.3 m-85 -79.14 132.1 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.23 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 7' ' ' THR . 4.8 pt-20 -112.61 147.81 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 62.54 110.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.35 114.12 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 50.44 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 71.51 109.311 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.285 -0.635 . . . . 63.04 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.778 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 46.1 m-85 -141.57 165.26 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 73.43 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.81 140.13 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 61.21 109.264 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -73.72 128.92 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 62.02 108.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 74.44 110.421 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -117.62 -46.99 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 54.15 109.233 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.96 -64.27 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 71.02 108.245 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.06 71.2 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 51.33 110.988 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 30.2 t80 -97.39 175.09 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 75.23 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 3.3 pt-20 -133.61 62.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 70.43 110.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' OH ' HD11 ' A' ' 33' ' ' LEU . 74.3 t80 -58.57 132.97 55.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.3 111.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -125.49 98.33 35.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 63.11 109.299 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 45.12 111.065 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.93 -22.73 45.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 45.42 109.298 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.89 -6.84 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.43 110.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.53 -151.13 20.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.586 1.179 . . . . 41.43 110.986 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.62 98.69 2.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 73.21 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -7.09 18.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 72.31 110.948 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.23 -30.6 43.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 74.25 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.16 173.16 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 53.24 109.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.86 58.43 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 71.44 111.037 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 t -116.99 143.95 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 52.43 109.313 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -84.97 157.58 59.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 74.23 109.344 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 106.3 2.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.759 . . . . 72.54 111.082 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.57 65.92 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 73.45 111.003 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -139.33 120.47 14.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 0.736 . . . . 62.22 110.416 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -67.16 148.81 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 71.43 110.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 11.2 t80 -55.51 -33.23 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 71.5 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -73.75 -21.04 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.21 109.335 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -95.47 27.52 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.14 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD11 ' OH ' ' A' ' 13' ' ' TYR . 43.9 mt -96.25 156.99 36.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.54 109.343 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.61 26.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 73.11 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.88 8.77 33.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 70.23 109.262 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.18 21.93 10.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 71.24 109.32 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -95.31 153.17 17.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.11 108.034 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -145.02 -177.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 72.21 109.333 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.61 135.54 78.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 50.1 108.22 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -0.23 9.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 63.24 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.87 -60.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.42 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 -66.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 63.24 108.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.17 54.66 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 43.12 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.82 165.65 12.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 65.43 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -74.98 170.38 20.55 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.807 . . . . 74.34 111.022 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -64.79 -16.47 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.25 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -18.29 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 63.32 109.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.02 32.56 5.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 50.45 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -132.43 116.07 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.23 111.049 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -114.81 167.62 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 62.54 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.0 128.76 34.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 50.44 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 71.51 109.338 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 63.04 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 69.5 m-85 -140.33 166.85 23.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 73.43 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.52 146.16 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 61.21 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.77 131.6 35.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.02 108.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -87.62 6.68 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 74.44 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -100.27 -43.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 54.15 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.51 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -107.97 -55.09 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 71.02 108.27 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.36 3.09 10.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.131 . . . . 51.33 110.996 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.66 147.42 52.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 75.23 110.958 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.88 126.85 53.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 70.43 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 20.4 t80 -92.63 129.71 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 75.3 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -109.98 100.3 42.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 63.11 109.269 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.0 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 45.12 111.029 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.58 -44.91 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 45.42 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.9 pm0 -112.91 -15.21 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 74.43 110.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.79 -125.57 8.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 41.43 111.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.95 99.05 0.74 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.753 . . . . 73.21 109.281 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.77 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 72.31 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.04 -53.86 29.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 74.25 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -79.8 -55.37 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 53.24 109.317 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.01 71.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 71.44 111.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.73 136.43 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 52.43 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -49.26 155.34 1.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.23 109.244 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.01 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 72.54 111.003 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.87 71.27 0.4 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 73.45 111.029 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -132.56 100.11 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 0.722 . . . . 62.22 110.383 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -55.36 158.78 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 71.43 110.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 23.9 t80 -60.73 -27.22 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.5 111.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.12 -18.48 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 74.21 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -22.53 23.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 74.14 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.85 158.81 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 74.54 109.288 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 178.4 7.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.451 1.764 . . . . 73.11 111.022 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.27 8.63 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 70.23 109.277 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -122.66 18.68 10.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 71.24 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -86.46 151.37 23.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.997 -1.112 . . . . 74.11 107.997 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.77 168.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 72.21 109.28 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.43 135.57 96.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 50.1 108.296 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 63.24 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' SG ' ' A' ' 9' ' ' CYS . 39.1 t -99.38 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.42 109.3 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -71.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.158 . . . . 63.24 108.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.33 45.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.09 . . . . 43.12 111.006 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -93.56 165.73 17.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 65.43 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.7 Cg_endo -74.96 -179.26 4.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.34 111.049 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -90.35 16.0 9.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 72.25 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -96.28 -9.62 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.32 110.003 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' THR . 11.3 mm-40 -107.05 -2.06 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 50.45 110.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.48 125.59 37.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 74.23 110.95 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -108.64 154.81 21.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 62.54 110.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.24 119.29 13.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 50.44 109.349 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 71.51 109.317 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.36 -0.607 . . . . 63.04 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 59.1 m-85 -104.83 146.27 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 61.21 109.254 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.68 163.24 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 62.02 108.327 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -124.22 18.79 9.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.44 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.03 -47.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 54.15 109.346 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.14 -45.07 4.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 71.02 108.259 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 3.02 23.68 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.482 1.114 . . . . 51.33 111.002 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CB ' HG21 ' A' ' 41' ' ' VAL . 12.6 t80 -69.33 141.69 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 75.23 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 141.73 33.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 70.43 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 88.1 t80 -94.95 128.53 41.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.3 111.052 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.97 100.32 42.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 63.11 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -11.68 21.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 45.12 110.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.89 90.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 45.42 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -105.11 -3.24 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.43 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -125.57 9.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 41.43 110.962 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' CE1' ' A' ' 13' ' ' TYR . 5.4 m-20 178.87 99.86 0.16 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 73.21 109.273 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -9.83 20.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 72.31 111.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.94 -31.41 68.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 74.25 109.36 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -109.98 -24.45 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 53.24 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.52 1.17 26.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 71.44 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.91 142.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 52.43 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -77.02 157.23 81.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.23 109.228 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.95 14.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.418 1.746 . . . . 72.54 111.05 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.94 41.16 2.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 73.45 111.032 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -121.82 87.85 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 62.22 110.379 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -47.33 157.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 71.43 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 14.0 t80 -67.25 -19.32 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 71.5 111.04 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.25 -19.35 26.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 74.21 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.62 -16.12 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 74.14 109.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 33' ' ' LEU . 15.9 mt -49.88 157.73 1.01 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 74.54 109.343 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 73.11 110.96 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.3 8.64 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 70.23 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.56 16.33 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 71.24 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -78.08 148.59 34.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.11 108.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.32 161.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 72.21 109.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.37 135.42 76.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 50.1 108.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.12 9.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 63.24 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.2 t -100.69 -58.96 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 71.42 109.279 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 -72.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 63.24 108.287 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.02 48.78 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 43.12 111.045 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.73 155.61 39.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 65.43 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 164.86 32.59 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.792 . . . . 74.34 111.033 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -69.15 -16.8 63.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 72.25 109.229 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -64.15 -12.4 39.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 63.32 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.49 -31.12 9.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 50.45 110.275 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.31 132.87 50.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.087 . . . . 74.23 111.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.0 158.04 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 62.54 110.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 112.6 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 50.44 109.335 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 71.51 109.364 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HZ1' ' HG3' ' A' ' 12' ' ' GLU . 42.4 tttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 63.04 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.442 ' CG ' ' CE2' ' A' ' 30' ' ' PHE . 20.9 m-85 -132.1 163.76 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.43 111.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.53 147.62 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 61.21 109.346 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -83.08 120.24 25.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 62.02 108.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -83.97 7.75 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 74.44 110.42 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -93.98 -50.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 54.15 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -107.93 -48.81 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 71.02 108.285 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.38 0.35 9.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 51.33 110.994 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' HG21 ' A' ' 41' ' ' VAL . 35.8 t80 -70.54 127.44 32.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 0.788 . . . . 75.23 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' HG3' ' HZ1' ' A' ' 3' ' ' LYS . 11.2 pt-20 -87.67 125.82 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 70.43 110.238 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' OH ' HD21 ' A' ' 33' ' ' LEU . 19.3 t80 -81.26 132.86 35.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.3 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.608 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 23.1 t0 -111.75 99.96 46.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 63.11 109.264 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.4 Cg_endo -74.93 -3.67 14.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 45.12 111.051 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -78.46 -16.99 56.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 45.42 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -122.93 2.42 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 74.43 110.29 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.07 -124.17 31.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 41.43 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -167.14 99.91 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 73.21 109.254 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.35 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 72.31 111.049 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.26 -29.02 24.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.25 109.275 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -118.29 -175.94 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 53.24 109.271 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.87 72.2 2.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 71.44 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.84 149.35 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 52.43 109.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.52 156.16 37.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.23 109.231 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 88.34 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 72.54 111.024 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.31 66.25 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 73.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 32' ' ' ASP . 1.6 m -136.64 109.72 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 0.729 . . . . 62.22 110.394 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 p -54.36 157.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 71.43 109.997 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' ' CG ' ' A' ' 4' ' ' TYR . 16.6 t80 -62.37 -35.14 78.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 71.5 111.015 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.93 -18.13 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.21 109.256 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' THR . 11.9 t70 -84.27 -18.49 36.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.14 109.268 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' OH ' ' A' ' 13' ' ' TYR . 93.1 mt -55.97 156.48 9.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.54 109.264 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.16 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 73.11 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 8.56 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.052 . . . . 70.23 109.33 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.66 29.12 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 71.24 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -90.4 154.34 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 74.11 108.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.41 -179.22 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 72.21 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -78.68 135.5 60.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 50.1 108.315 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 63.24 111.044 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 11' ' ' TYR . 57.3 t -97.6 -59.56 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 71.42 109.247 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -71.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 63.24 108.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 56.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 43.12 111.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.748 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.77 156.68 38.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 65.43 109.304 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.08 25.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 74.34 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -58.91 -20.24 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 72.25 109.338 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.8 p -54.27 -22.38 11.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 63.32 110.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.748 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 1.6 mm-40 -96.66 -29.08 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 50.45 110.307 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -75.21 130.91 39.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.23 111.016 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 2.9 mm-40 -121.6 -178.62 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 62.54 110.323 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.16 123.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 50.44 109.388 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 71.51 109.334 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 mttp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.335 -0.617 . . . . 63.04 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 51.7 m-85 -148.66 128.37 13.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 73.43 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -103.73 126.95 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 61.21 109.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.83 161.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 62.02 108.322 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -116.66 2.44 12.97 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 74.44 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -99.66 -49.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.15 109.372 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.548 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.6 p -113.31 -61.98 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 71.02 108.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.66 72.66 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 51.33 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 41' ' ' VAL . 5.6 t80 -118.84 108.07 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 75.23 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' TYR . 2.7 pt-20 -73.39 65.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 70.43 110.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 73.5 t80 -37.61 138.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 20.7 t70 -111.8 102.66 54.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 63.11 109.244 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.26 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.541 1.811 . . . . 45.12 110.997 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -80.79 -27.7 36.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 45.42 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 9.8 pt-20 -126.98 9.07 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 74.43 110.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.09 -121.71 26.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.441 1.088 . . . . 41.43 110.972 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -147.47 100.05 3.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 73.21 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.48 16.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 72.31 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.66 -39.05 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 74.25 109.258 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -114.01 -176.83 2.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 53.24 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.36 70.05 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 71.44 111.034 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -135.41 139.35 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 52.43 109.304 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -91.61 156.84 42.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 74.23 109.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 -7.1 18.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 72.54 111.101 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.15 37.32 3.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 73.45 111.008 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -135.84 117.46 14.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 62.22 110.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -81.86 176.52 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 71.43 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 29.4 t80 -72.28 -27.06 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 71.5 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.05 -22.33 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 74.21 109.278 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -88.53 -20.29 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.14 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.5 mt -48.24 154.94 0.98 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.182 . . . . 74.54 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.11 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.7 -14.73 14.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 70.23 109.318 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -102.01 28.97 5.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 71.24 109.259 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 38' ' ' VAL . 82.4 t90 -90.15 163.57 14.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 74.11 108.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 37' ' ' TRP . 27.1 m -157.35 163.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 72.21 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.35 135.23 93.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 50.1 108.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.95 -6.62 18.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 63.24 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG11 ' SG ' ' A' ' 9' ' ' CYS . 44.8 t -91.22 -58.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 71.42 109.297 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.86 -70.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 63.24 108.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.02 54.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 43.12 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -107.45 168.8 7.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.588 0.816 . . . . 65.43 109.255 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 172.59 16.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 74.34 111.018 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -64.75 -15.82 62.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 72.25 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -62.6 -15.65 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.32 109.948 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 7' ' ' THR . 16.0 mm-40 -107.69 24.11 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 50.45 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.68 115.88 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 74.23 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -104.89 160.18 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 62.54 110.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.19 132.94 34.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 50.44 109.263 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 71.51 109.366 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.597 ' C ' ' HB2' ' A' ' 52' ' ' ALA . 5.9 mtmp? . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.314 -0.624 . . . . 63.04 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.627 ' N ' ' HB2' ' A' ' 52' ' ' ALA . 19.4 m-85 -155.07 147.75 24.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 73.43 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 51' ' ' ALA . 14.7 p -109.07 147.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 61.21 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.71 124.7 37.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 62.02 108.292 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -76.64 -2.29 32.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 74.44 110.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.47 -44.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 54.15 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -107.57 -59.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 71.02 108.334 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.76 11.75 9.09 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.477 1.111 . . . . 51.33 111.018 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.26 151.93 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 75.23 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.48 122.1 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 70.43 110.305 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -91.96 114.0 26.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 75.3 111.021 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.07 100.09 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 63.11 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 45.12 111.003 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.06 -22.92 65.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 45.42 109.234 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.16 -29.09 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.43 110.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.14 -174.82 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 41.43 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.99 97.44 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 73.21 109.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.89 19.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 72.31 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.88 -28.58 66.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 74.25 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -110.25 -22.65 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.24 109.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.86 13.96 14.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 71.44 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.43 157.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 52.43 109.264 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -94.46 162.28 26.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.23 109.216 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.02 10.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 72.54 111.024 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 50.41 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.513 1.133 . . . . 73.45 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -127.21 107.2 9.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 62.22 110.382 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -66.95 153.23 44.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.43 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 6.7 t80 -61.14 -26.91 68.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 71.5 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.25 -14.46 59.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 74.21 109.29 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -103.71 20.43 18.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.14 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 13' ' ' TYR . 19.5 mt -83.59 155.36 65.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.54 109.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.537 1.809 . . . . 73.11 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.87 8.59 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 70.23 109.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -125.26 26.8 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 71.24 109.294 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.427 ' C ' HG13 ' A' ' 38' ' ' VAL . 67.4 t90 -79.61 156.87 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 74.11 107.993 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 37' ' ' TRP . 18.9 m -152.19 146.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.21 109.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.6 t -50.9 135.51 27.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 50.1 108.262 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -0.29 9.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.24 111.04 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 9' ' ' CYS . 94.4 t -96.39 -61.68 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 71.42 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.76 -63.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 63.24 108.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.95 48.71 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 43.12 110.929 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -102.16 154.87 37.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 65.43 109.284 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.41 6.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.782 . . . . 74.34 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -14.82 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 72.25 109.31 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -52.49 -21.26 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 63.32 110.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.467 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 19.7 mm-40 -91.88 -71.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 50.45 110.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -39.37 136.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.23 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 15.1 pt-20 -119.44 -52.46 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.54 110.231 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.947 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -171.14 169.08 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 50.44 109.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' N ' ' A' ' 4' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 71.51 109.374 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' ALA . 68.6 mttt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.272 -0.64 . . . . 63.04 109.272 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.696 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 50.0 m-85 -140.17 122.58 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.43 110.994 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.29 146.46 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 61.21 109.336 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.27 119.39 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 62.02 108.26 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -96.9 35.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.057 . . . . 74.44 110.439 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -127.62 -48.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 54.15 109.328 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.491 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 21.5 p -106.97 -49.4 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 71.02 108.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 63.19 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 51.33 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.69 ' HB2' HG21 ' A' ' 41' ' ' VAL . 27.3 t80 -128.88 153.73 47.19 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 0.784 . . . . 75.23 110.998 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.63 128.67 55.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 70.43 110.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -101.42 132.76 46.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 75.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 6.3 t70 -109.94 100.3 42.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 63.11 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.584 1.834 . . . . 45.12 110.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -79.88 -28.98 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 45.42 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 9.8 pt-20 -111.56 -22.51 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.43 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 -127.25 9.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 41.43 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -166.77 99.58 0.67 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 73.21 109.3 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.548 1.815 . . . . 72.31 110.958 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -77.34 -28.7 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 74.25 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -124.03 -176.94 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 53.24 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.09 67.25 2.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 71.44 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.2 t -125.4 169.31 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 52.43 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -128.83 158.28 72.88 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 74.23 109.341 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 -6.75 18.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 72.54 111.021 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.72 48.53 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 73.45 110.984 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -141.55 138.92 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 62.22 110.409 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -92.66 166.31 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 71.43 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 12.4 t80 -72.66 -31.63 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.5 110.977 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.08 -18.56 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 74.21 109.3 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -88.02 -23.75 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 74.14 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -41.77 155.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.54 109.305 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.821 . . . . 73.11 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.94 8.54 22.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 70.23 109.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -119.89 19.12 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 71.24 109.326 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' C ' HG13 ' A' ' 38' ' ' VAL . 85.2 t90 -89.22 156.94 18.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.975 -1.121 . . . . 74.11 107.975 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 37' ' ' TRP . 16.3 m -152.95 166.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 72.21 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.51 135.54 85.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 50.1 108.282 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.94 -0.81 10.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 63.24 111.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 11' ' ' TYR . 34.6 t -97.85 -58.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 71.42 109.249 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.89 -71.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.24 108.239 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.04 47.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 43.12 110.993 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -89.1 166.71 20.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 0.731 . . . . 65.43 109.343 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.08 153.26 41.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 74.34 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -63.65 -14.51 52.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 72.25 109.305 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -76.88 -10.73 59.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 63.32 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -105.35 14.82 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 50.45 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -105.75 102.22 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 74.23 111.078 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.17 118.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.54 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.19 99.46 7.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 50.44 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB3' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 71.51 109.283 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 6.8 mtpm? . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.27 -0.641 . . . . 63.04 109.27 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 61.1 m-85 -152.79 156.12 38.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 73.43 111.003 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.47 148.25 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 61.21 109.354 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.19 141.56 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 62.02 108.349 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.2 p -93.99 2.31 56.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 74.44 110.43 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -101.09 -44.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 54.15 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.549 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.7 m -100.69 -58.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 71.02 108.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.01 8.49 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 51.33 111.01 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 14.0 t80 -82.85 155.63 24.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 75.23 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 7.1 pt-20 -113.04 136.49 52.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 70.43 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.38 140.35 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 75.3 110.991 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -110.2 100.07 42.53 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 63.11 109.324 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.92 19.6 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 45.12 111.051 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.46 -49.81 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 45.42 109.333 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.44 12.62 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 74.43 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.25 -130.35 50.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 41.43 111.057 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 34.4 t70 -166.21 102.71 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 73.21 109.295 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.92 20.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 72.31 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.4 -38.25 83.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 74.25 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 24' ' ' VAL . 22.2 p30 -116.87 -175.18 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 53.24 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.53 66.3 3.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 71.44 111.075 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 22' ' ' ASN . 37.9 t -112.42 106.5 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 52.43 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 154.71 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.23 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 97.04 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 72.54 110.983 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 75.83 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.123 . . . . 73.45 110.918 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -142.5 97.78 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 62.22 110.377 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -57.96 169.17 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 71.43 109.977 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 50.9 t80 -69.66 -31.04 68.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 71.5 111.043 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.44 -16.27 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.21 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.19 -23.32 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 74.14 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 30' ' ' PHE . 17.1 mt -43.99 158.55 0.26 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 74.54 109.329 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.449 1.762 . . . . 73.11 110.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 8.72 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 70.23 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.36 23.96 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 71.24 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -88.44 141.42 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.11 108.024 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.99 154.85 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 72.21 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.29 135.44 5.45 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 50.1 108.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -0.17 9.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 63.24 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.549 HG11 ' SG ' ' A' ' 9' ' ' CYS . 99.6 t -97.79 -61.97 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 71.42 109.276 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.88 -68.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 63.24 108.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.48 60.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 43.12 111.003 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -103.01 164.73 14.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 65.43 109.268 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.06 156.84 42.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.812 . . . . 74.34 111.036 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -65.1 -16.11 63.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 72.25 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -65.91 -19.34 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 63.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.56 -33.2 16.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 50.45 110.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.16 134.24 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.23 111.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -112.44 155.83 23.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 62.54 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.19 105.12 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 50.44 109.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.51 109.368 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.285 -0.635 . . . . 63.04 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -115.39 157.53 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 73.43 110.935 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.52 159.26 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 61.21 109.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 t -92.29 121.4 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 62.02 108.239 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 p -75.69 -2.34 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.44 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.62 -51.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 54.15 109.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.4 -58.66 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 71.02 108.358 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.76 13.83 9.13 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 51.33 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.73 126.74 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.746 . . . . 75.23 110.982 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.5 136.06 36.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 70.43 110.33 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.677 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 59.6 t80 -91.82 124.98 36.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 75.3 110.947 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 10.3 t70 -105.23 105.36 51.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 63.11 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -25.53 11.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 45.12 110.941 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -44.69 -35.86 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 45.42 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.75 -28.97 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.43 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.87 -134.64 12.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 41.43 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -174.78 82.2 0.33 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.21 109.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -18.69 18.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 72.31 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.22 -49.51 60.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 74.25 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -85.14 -68.75 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 53.24 109.34 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.48 68.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 71.44 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.36 160.34 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 52.43 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -92.78 157.24 39.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.23 109.295 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 72.54 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.87 61.54 0.62 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.506 1.129 . . . . 73.45 111.024 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -146.62 107.33 4.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 62.22 110.42 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -66.96 167.67 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 71.43 110.058 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 11.7 t80 -60.18 -29.74 68.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 71.5 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -76.01 -17.42 59.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 74.21 109.303 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.2 18.42 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.14 109.309 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 25.8 mt -87.34 156.63 53.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.54 109.357 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.788 . . . . 73.11 111.007 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.33 37.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 70.23 109.29 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -96.33 23.34 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.24 109.317 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -89.58 134.31 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 74.11 108.047 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.82 147.8 33.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 72.21 109.276 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.9 t -45.1 135.57 5.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 50.1 108.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.11 9.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 63.24 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.64 -63.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.111 . . . . 71.42 109.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 p -106.8 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 63.24 108.361 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.31 48.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 43.12 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.57 159.29 35.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.813 . . . . 65.43 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 74.34 111.035 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 53.6 mtmt -69.05 -19.86 64.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 72.25 109.357 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -65.45 -20.21 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 63.32 110.03 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -97.6 4.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 50.45 110.246 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -107.48 110.48 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 74.23 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -92.31 153.42 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 62.54 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 119.72 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 50.44 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 71.51 109.346 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.305 -0.628 . . . . 63.04 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.7 158.55 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 73.43 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.29 142.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 61.21 109.275 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 8.1 t -77.77 121.68 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 62.02 108.317 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -75.9 -1.04 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.44 110.411 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.22 -44.11 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.15 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.08 -56.48 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 71.02 108.338 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 114.31 13.42 9.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.12 . . . . 51.33 111.02 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -81.83 139.36 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 75.23 111.035 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.94 119.97 33.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 70.43 110.298 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.0 t80 -74.43 120.72 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.3 110.993 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.52 104.28 49.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 63.11 109.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 45.12 110.954 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.43 -28.24 23.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 45.42 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.6 pt-20 -101.87 -31.01 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.43 110.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.74 -163.91 46.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 41.43 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -158.14 92.37 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 73.21 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 72.31 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -63.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.25 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.908 ' OD1' HG23 ' A' ' 24' ' ' VAL . 11.4 p30 -75.1 -34.73 61.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 53.24 109.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 126.81 65.85 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 71.44 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 22' ' ' ASN . 88.1 t -129.71 166.5 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 52.43 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 24' ' ' VAL . 4.5 mptt -94.49 157.8 36.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 74.23 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.95 0.17 9.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 72.54 110.98 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.7 68.19 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.144 . . . . 73.45 111.06 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -130.85 111.52 12.18 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 0.71 . . . . 62.22 110.406 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -66.44 150.4 48.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 71.43 109.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.31 -20.42 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 71.5 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.18 -18.43 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.21 109.234 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.51 15.83 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 74.14 109.335 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.61 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 32.5 mt -86.72 154.99 56.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 74.54 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 167.25 27.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 73.11 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 8.59 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 70.23 109.237 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.17 29.85 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 71.24 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -79.95 147.45 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.11 107.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.0 m -135.75 149.54 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 72.21 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -54.9 135.55 66.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 50.1 108.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.485 1.782 . . . . 63.24 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -96.58 -61.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 71.42 109.298 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 p -106.3 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 63.24 108.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.74 51.73 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 43.12 111.053 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.98 154.55 41.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 65.43 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 74.34 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -63.46 -14.14 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 72.25 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 m -61.88 -13.99 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.32 110.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.586 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 3.7 mm-40 -116.62 18.56 14.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 50.45 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -123.24 114.92 20.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.23 111.04 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -105.93 142.6 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 62.54 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.66 108.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 50.44 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.51 109.291 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 63.04 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 54.2 m-85 -148.74 144.6 27.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.43 110.935 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 12' ' ' GLU . 12.0 p -124.2 152.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 61.21 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 3.9 t -92.26 96.36 10.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 62.02 108.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.692 HG21 ' OE2' ' A' ' 50' ' ' GLU . 1.4 t -65.93 -11.55 48.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.44 110.339 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.98 -55.85 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 54.15 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.85 -55.61 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.02 108.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 133.87 -9.21 4.86 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.467 1.104 . . . . 51.33 110.982 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 53.0 t80 -61.32 145.43 51.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 75.23 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 5' ' ' VAL . 24.7 mt-10 -111.1 139.49 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.43 110.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -110.43 146.32 36.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 75.3 110.998 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -132.96 130.82 21.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.11 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.54 1.811 . . . . 45.12 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.9 -50.53 11.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 45.42 109.36 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 18.4 pt-20 -85.26 -39.76 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 74.43 110.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 89.21 -134.8 12.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.138 . . . . 41.43 111.066 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 177.65 90.03 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 0.808 . . . . 73.21 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -10.17 21.28 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 72.31 111.047 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -40.52 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.25 109.263 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -96.43 -75.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 53.24 109.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.6 40.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 71.44 110.97 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 25' ' ' LYS . 23.3 t -97.42 169.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.769 . . . . 52.43 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.29 155.49 53.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.23 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 72.54 111.021 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.31 70.62 0.63 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 73.45 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -147.95 109.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 62.22 110.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.8 p -44.86 145.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.43 110.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 19.0 t80 -62.49 -24.01 67.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 71.5 110.97 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.15 -16.81 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 74.21 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.15 20.88 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 74.14 109.326 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -92.81 156.29 40.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.54 109.311 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 73.11 111.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 -18.27 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 70.23 109.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.78 24.32 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.24 109.334 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -93.31 140.51 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 74.11 107.991 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 m -130.84 169.37 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 72.21 109.279 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -63.74 135.93 96.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 50.1 108.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.2 10.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 63.24 111.03 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 89.4 t -99.32 -56.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 71.42 109.233 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.9 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 63.24 108.261 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.93 47.61 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 43.12 111.012 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -95.58 165.56 16.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 65.43 109.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 164.82 32.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 74.34 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -64.25 -15.77 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 72.25 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -66.37 -12.65 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.32 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 7' ' ' THR . 20.7 mm-40 -102.39 3.42 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 50.45 110.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.26 103.69 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 74.23 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.692 ' OE2' HG21 ' A' ' 7' ' ' THR . 1.2 mp0 -86.24 159.69 19.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 62.54 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.86 131.17 34.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 50.44 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 71.51 109.302 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.542 ' HZ3' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 63.04 109.347 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.784 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 25.0 m-85 -122.37 134.64 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.43 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG23 ' HG2' ' A' ' 12' ' ' GLU . 9.9 p -125.11 153.49 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 61.21 109.289 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.6 t -87.16 137.89 31.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 62.02 108.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 p -99.97 12.49 36.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 74.44 110.388 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.15 -46.2 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 54.15 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.68 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.02 108.273 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.2 0.26 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.444 1.09 . . . . 51.33 111.051 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.25 123.43 46.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 75.23 110.996 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 5' ' ' VAL . 3.5 mm-40 -76.95 138.01 39.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 70.43 110.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 47.9 t80 -96.03 165.79 12.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.727 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.1 t70 -152.5 104.51 2.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 63.11 109.308 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -5.69 17.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.446 1.761 . . . . 45.12 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.727 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -74.72 -33.31 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 45.42 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.94 -28.29 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.43 110.319 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.19 -145.33 21.32 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.518 1.136 . . . . 41.43 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -170.75 99.41 0.43 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 0.799 . . . . 73.21 109.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 72.31 111.032 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.27 -64.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 74.25 109.242 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -78.14 -68.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 53.24 109.255 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.7 76.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 71.44 110.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.04 139.38 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 0.736 . . . . 52.43 109.261 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.99 155.8 72.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 74.23 109.248 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 85.56 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.526 1.803 . . . . 72.54 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.98 64.49 0.1 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 73.45 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 m -134.57 106.81 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 62.22 110.388 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -51.28 148.56 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 71.43 110.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.784 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 41.4 t80 -63.39 -32.34 73.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 71.5 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -16.15 59.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 74.21 109.258 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -90.58 -24.65 20.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.14 109.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.8 mt -42.97 154.67 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.54 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.92 21.56 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.458 1.768 . . . . 73.11 111.051 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.39 9.01 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.23 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -121.97 21.1 10.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.24 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.466 ' CD2' HD13 ' A' ' 33' ' ' LEU . 81.6 t90 -91.23 149.92 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 74.11 107.977 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.72 175.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 72.21 109.341 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.97 135.54 89.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 50.1 108.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.09 9.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 63.24 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -98.22 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 71.42 109.328 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -111.63 -70.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 63.24 108.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.68 52.94 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 43.12 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -101.87 157.52 33.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 65.43 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.81 15.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 74.34 111.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 30.8 mtmt -73.11 -15.16 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 72.25 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -65.4 -11.16 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 63.32 110.041 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 9.5 mt-10 -104.56 -25.63 12.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 50.45 110.263 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.59 123.33 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.23 111.014 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.75 168.88 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 62.54 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.76 102.8 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 50.44 109.357 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 71.51 109.27 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.27 -0.641 . . . . 63.04 109.27 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 30' ' ' PHE . 54.7 m-85 -144.45 148.07 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 73.43 111.011 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.7 p -125.22 142.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 61.21 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -77.98 147.82 34.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 62.02 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -107.74 -5.78 17.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.44 110.415 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -83.8 -63.88 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 54.15 109.319 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' SG ' HG11 ' A' ' 41' ' ' VAL . 5.1 p -90.05 -41.26 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 71.02 108.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 14.18 17.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 51.33 110.948 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 56.6 t80 -75.09 170.17 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 0.707 . . . . 75.23 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 1.7 pp20? -135.03 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 70.43 110.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -120.99 146.19 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.3 111.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -122.88 132.78 24.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.11 109.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 45.12 110.987 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.34 45.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 45.42 109.332 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -84.31 -43.48 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.43 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.24 -153.62 37.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.439 1.087 . . . . 41.43 110.948 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -155.92 99.19 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 73.21 109.241 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -40.5 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 72.31 111.076 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -59.22 -59.07 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 74.25 109.294 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -43.8 -32.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 53.24 109.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 17.8 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 71.44 111.017 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t -101.67 135.15 39.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 52.43 109.371 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.48 155.77 26.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 74.23 109.324 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.578 1.831 . . . . 72.54 111.028 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.73 53.9 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 73.45 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -141.28 138.79 33.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 0.76 . . . . 62.22 110.435 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 p -94.53 -177.01 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 71.43 109.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 29.6 t80 -78.22 -24.07 47.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 71.5 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.27 -18.01 47.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 74.21 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 -17.19 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.14 109.327 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 37' ' ' TRP . 22.5 mt -49.9 155.51 1.51 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 74.54 109.336 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 147.6 34.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 73.11 111.024 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -16.66 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.23 109.197 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -103.45 33.35 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 71.24 109.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CD1' HD22 ' A' ' 33' ' ' LEU . 77.1 t90 -84.53 143.41 29.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 74.11 107.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.73 159.44 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 72.21 109.237 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.53 135.51 96.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 50.1 108.305 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.58 10.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 63.24 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.2 t -99.12 -56.18 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.42 109.313 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -71.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 63.24 108.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.0 46.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.166 . . . . 43.12 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.588 ' HB1' ' OE2' ' A' ' 48' ' ' GLU . . . -100.68 154.47 37.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 65.43 109.318 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.07 11.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 74.34 110.973 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -15.5 48.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.25 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 t -60.63 -16.13 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 63.32 109.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.588 ' OE2' ' HB1' ' A' ' 44' ' ' ALA . 2.7 mt-10 -115.77 21.49 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 50.45 110.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -123.99 113.76 18.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 74.23 111.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.98 179.62 4.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 62.54 110.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.88 134.33 34.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 50.44 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 71.51 109.277 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.324 -0.621 . . . . 63.04 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.675 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 92.7 m-85 -126.85 163.75 22.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.43 111.032 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.66 144.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 61.21 109.241 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 t -77.3 137.5 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 62.02 108.292 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -88.74 15.21 8.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 74.44 110.429 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -117.64 -50.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 54.15 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.567 ' SG ' HG11 ' A' ' 41' ' ' VAL . 2.1 m -94.93 -55.75 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 71.02 108.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.13 6.62 22.23 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.479 1.112 . . . . 51.33 110.982 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -73.58 139.22 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 0.815 . . . . 75.23 111.017 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -101.68 123.55 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 70.43 110.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 2.9 t80 -92.79 147.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.3 110.953 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 11.3 t0 -122.45 132.37 24.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 63.11 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -34.76 3.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 45.12 110.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -48.16 -53.93 15.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 45.42 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.33 -50.65 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 74.43 110.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.15 -124.02 7.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 41.43 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.13 95.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 73.21 109.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.573 1.828 . . . . 72.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -72.09 -42.67 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.25 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -84.6 -15.96 43.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 53.24 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.56 6.8 40.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 71.44 111.018 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.15 135.19 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 52.43 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -71.46 156.33 91.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.23 109.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.452 1.764 . . . . 72.54 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.49 55.78 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.586 1.179 . . . . 73.45 110.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.1 m -137.26 114.11 10.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 62.22 110.379 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -71.89 155.76 40.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 71.43 110.022 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 21.8 t80 -58.75 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 71.5 110.976 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -17.79 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.21 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -93.58 16.13 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.14 109.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.01 156.99 66.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 74.54 109.297 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 73.11 110.963 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.47 -15.25 15.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 70.23 109.302 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.99 25.58 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 71.24 109.26 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.709 ' O ' HG13 ' A' ' 38' ' ' VAL . 84.0 t90 -102.23 162.28 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 74.11 108.04 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 37' ' ' TRP . 4.0 m -160.08 -173.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 72.21 109.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -68.06 135.5 91.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 50.1 108.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -2.33 12.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 63.24 111.043 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' SG ' ' A' ' 9' ' ' CYS . 46.3 t -94.98 -62.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 71.42 109.31 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.97 -69.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 63.24 108.264 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.18 51.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 43.12 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.51 159.75 33.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 65.43 109.205 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.74 39.62 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.416 1.745 . . . . 74.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 23.6 mtmt -63.02 -17.0 61.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 72.25 109.276 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -64.87 -15.6 62.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 63.32 110.026 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -106.25 15.56 26.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 50.45 110.265 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -115.22 107.8 15.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.6 1.188 . . . . 74.23 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.39 160.68 14.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 62.54 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.64 112.99 13.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 50.44 109.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 71.51 109.293 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 mptt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.348 -0.612 . . . . 63.04 109.348 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 26.8 m-85 -110.26 165.69 11.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 73.43 111.007 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.01 149.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.362 1.039 . . . . 61.21 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 t -85.65 135.26 33.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 62.02 108.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -87.01 11.43 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.44 110.432 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -109.85 -52.39 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 54.15 109.26 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.533 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -96.21 -56.92 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 71.02 108.242 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.08 7.87 11.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 51.33 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.99 144.97 36.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 75.23 110.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.18 137.53 47.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 70.43 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -105.18 145.51 30.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.185 . . . . 75.3 110.99 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.7 t70 -119.51 132.41 24.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 63.11 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.09 19.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 45.12 110.985 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -83.34 -29.22 28.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 45.42 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.14 -5.38 18.03 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 74.43 110.257 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 39.3 -144.98 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 41.43 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -147.56 86.44 6.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 73.21 109.291 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.93 19.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 72.31 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.65 -19.27 60.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 74.25 109.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -102.54 -52.85 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 53.24 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.82 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 71.44 111.019 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -48.82 125.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 52.43 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -60.06 155.31 45.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.23 109.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.44 9.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.537 1.809 . . . . 72.54 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.54 43.69 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 73.45 110.942 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -128.15 97.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 0.72 . . . . 62.22 110.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 p -48.98 165.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 71.43 110.008 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE2' ' CD2' ' A' ' 4' ' ' TYR . 13.6 t80 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 71.5 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.09 -18.96 55.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 74.21 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.49 23.22 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 74.14 109.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.9 mt -85.11 156.12 60.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 74.54 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 155.7 43.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 73.11 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.15 -20.79 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 70.23 109.336 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.59 30.54 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 71.24 109.296 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -94.0 147.3 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 74.11 108.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.56 158.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 72.21 109.232 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.84 135.42 8.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 50.1 108.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.498 1.788 . . . . 63.24 111.03 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.533 HG11 ' SG ' ' A' ' 9' ' ' CYS . 58.7 t -94.22 -62.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.42 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.16 -68.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 63.24 108.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.7 61.44 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 43.12 111.003 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 158.43 31.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 65.43 109.284 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 148.9 36.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.449 1.763 . . . . 74.34 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.36 -23.66 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.25 109.303 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -57.51 -17.8 15.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 63.32 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.54 -29.83 12.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 50.45 110.273 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.39 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.23 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.3 143.07 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 62.54 110.344 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.29 104.1 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 50.44 109.351 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 71.51 109.298 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.496 0.189 . . . . 63.21 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.79 138.14 54.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 71.21 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -106.0 160.46 15.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 63.04 109.344 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' GLU . 28.2 m-85 -139.88 167.06 22.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 73.43 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.16 146.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 61.21 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -75.64 144.88 41.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.02 108.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -106.85 21.59 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 74.44 110.425 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -119.56 -47.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 54.15 109.229 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.552 ' CB ' HG11 ' A' ' 41' ' ' VAL . 1.9 p -101.85 -49.9 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.02 108.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.32 4.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.433 1.083 . . . . 51.33 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -98.03 142.22 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 75.23 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -100.45 144.03 29.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 70.43 110.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 11.3 t80 -101.81 134.45 44.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 75.3 111.022 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -112.45 98.88 45.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 63.11 109.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.483 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.5 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 45.12 111.042 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.66 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 45.42 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -109.93 -2.83 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.43 110.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.13 13.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.093 . . . . 41.43 111.03 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.33 84.99 59.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 73.21 109.315 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -13.31 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 72.31 111.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.94 -21.22 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 74.25 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.43 -27.67 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 53.24 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.97 1.17 8.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 71.44 111.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -71.74 139.63 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 0.805 . . . . 52.43 109.303 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.91 155.93 88.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.23 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.95 13.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 72.54 111.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.03 49.6 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.589 1.181 . . . . 73.45 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m -134.79 114.41 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 62.22 110.5 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -77.84 167.55 21.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 71.43 110.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -59.0 -33.43 70.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 71.5 110.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 -19.69 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.21 109.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -89.54 -25.12 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.14 109.354 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 mt -45.11 158.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.54 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 166.36 29.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.413 1.743 . . . . 73.11 111.052 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.01 -16.44 47.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 70.23 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -105.62 36.69 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.24 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -91.79 153.67 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 74.11 108.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -147.97 150.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 72.21 109.256 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.93 135.39 28.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 50.1 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 63.24 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG11 ' CB ' ' A' ' 9' ' ' CYS . 51.9 t -93.5 -60.79 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 71.42 109.227 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.04 -70.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 63.24 108.231 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.15 60.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 43.12 111.053 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -113.23 162.1 23.73 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 65.43 109.299 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -74.96 169.76 21.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 74.34 110.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.94 -15.57 32.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 72.25 109.282 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -62.41 -17.17 58.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 63.32 109.978 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.694 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 17.4 mm-40 -100.84 -5.85 25.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 50.45 110.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -100.61 125.86 47.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 74.23 110.961 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 19.3 mm-40 -113.4 -177.71 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.54 110.264 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.17 122.09 30.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 50.44 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 71.51 109.329 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.541 0.21 . . . . 63.21 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -119.14 136.76 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 71.21 109.292 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -89.05 132.81 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 63.04 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -112.02 122.69 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.43 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -79.88 179.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 61.21 109.265 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.4 t -106.73 141.78 37.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 62.02 108.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 p -99.82 24.58 8.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 74.44 110.419 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.64 -50.99 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 54.15 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -106.65 -38.28 6.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 71.02 108.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.74 1.81 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 51.33 111.022 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CB ' HG21 ' A' ' 41' ' ' VAL . 7.4 t80 -64.97 155.61 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 75.23 110.978 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -114.25 139.29 49.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 70.43 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -104.63 154.42 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.3 110.939 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 16' ' ' ALA . 9.6 t0 -135.97 98.32 11.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 63.11 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.42 20.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 45.12 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 14' ' ' ASP . . . -68.5 -30.1 68.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 45.42 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.9 -32.05 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.43 110.321 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.12 -158.16 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 41.43 111.031 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -160.43 85.38 1.96 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 73.21 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.04 14.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 72.31 110.975 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -70.22 -48.5 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 109.276 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.98 -66.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 53.24 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.89 60.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 71.44 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.83 120.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 52.43 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -55.87 155.23 11.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 74.23 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 72.54 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.17 58.26 0.48 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 73.45 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -130.0 98.22 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 0.797 . . . . 62.22 110.375 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.5 156.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 71.43 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 18.1 t80 -61.34 -38.24 86.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.5 111.045 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.92 -19.19 63.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 74.21 109.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.16 30.5 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.14 109.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 71.9 mt -99.98 157.65 33.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.54 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.54 42.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.441 1.758 . . . . 73.11 110.97 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.55 -15.84 61.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 70.23 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -101.84 32.01 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 71.24 109.316 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.437 ' C ' HG13 ' A' ' 38' ' ' VAL . 88.0 t90 -97.05 162.56 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.11 108.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG13 ' C ' ' A' ' 37' ' ' TRP . 19.5 m -152.82 -176.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 72.21 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.61 135.58 78.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 50.1 108.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 63.24 110.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.1 t -101.37 -58.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 71.42 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.48 -74.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.24 108.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.29 58.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 43.12 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.25 161.13 23.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 65.43 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -75.0 164.24 33.75 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.809 . . . . 74.34 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -64.9 -18.59 65.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.25 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -63.86 -12.96 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 63.32 109.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.76 44.61 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 50.45 110.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 14.3 m-85 -141.24 130.34 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 74.23 110.985 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.93 165.47 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 62.54 110.359 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.97 149.3 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 50.44 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 71.51 109.312 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.459 0.171 . . . . 63.21 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -86.95 -25.66 24.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 71.21 109.337 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -144.37 155.61 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 63.04 109.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.654 ' CD2' ' CG ' ' A' ' 30' ' ' PHE . 16.5 m-85 -142.79 150.28 39.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 73.43 111.055 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.12 156.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 61.21 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.5 t -90.53 126.5 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 62.02 108.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -80.97 3.2 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 74.44 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.43 -47.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.556 1.16 . . . . 54.15 109.352 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.8 m -103.59 -58.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 71.02 108.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.82 9.89 10.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 51.33 110.921 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.02 121.58 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 75.23 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -75.41 130.05 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.43 110.3 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' OH ' HD21 ' A' ' 33' ' ' LEU . 88.5 t80 -97.42 121.26 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 75.3 110.962 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -110.24 99.92 42.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 63.11 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.19 9.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.432 1.754 . . . . 45.12 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.23 68.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 45.42 109.344 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -95.67 -37.03 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.43 110.312 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 -176.22 26.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 41.43 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.22 96.46 0.95 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.564 0.802 . . . . 73.21 109.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.17 21.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 72.31 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.38 -45.42 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 74.25 109.35 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.31 -16.47 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 53.24 109.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 5.98 32.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 71.44 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.5 t -65.06 174.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 52.43 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.624 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.97 160.89 54.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.23 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.3 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 72.54 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.84 49.08 0.8 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 73.45 110.986 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -124.74 94.7 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 62.22 110.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -44.24 151.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 71.43 110.014 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.654 ' CG ' ' CD2' ' A' ' 4' ' ' TYR . 27.6 t80 -55.72 -28.54 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 71.5 111.004 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.1 -21.36 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.21 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.31 19.34 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.14 109.278 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.5 mt -80.99 155.41 72.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 74.54 109.239 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.22 25.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 73.11 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.96 -16.0 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 70.23 109.327 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.56 31.71 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.24 109.261 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.5 ' O ' HG13 ' A' ' 38' ' ' VAL . 88.3 t90 -100.15 162.01 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 74.11 107.98 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 37' ' ' TRP . 22.3 m -155.72 -178.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 72.21 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.39 135.51 75.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 50.1 108.262 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.24 9.13 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.51 1.795 . . . . 63.24 111.04 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 9' ' ' CYS . 24.7 t -99.45 -59.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 71.42 109.236 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -70.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 63.24 108.314 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.72 47.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 43.12 111.029 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -91.61 159.04 39.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 65.43 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -178.71 4.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 74.34 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -92.91 24.23 3.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 72.25 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -100.39 -11.96 19.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 63.32 110.008 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 11.0 pt-20 -107.35 -27.46 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 50.45 110.217 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.26 118.68 8.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 74.23 110.936 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 52' ' ' ALA . 1.4 pp20? -90.01 172.72 8.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 62.54 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.53 117.72 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 50.44 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 71.51 109.289 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.53 0.205 . . . . 63.21 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -124.18 115.8 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 71.21 109.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 50.7 tttt -88.06 160.58 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 63.04 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 50.5 m-85 -155.13 123.07 5.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.192 . . . . 73.43 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -80.2 -179.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 61.21 109.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.14 136.04 50.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 62.02 108.288 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 p -91.77 29.47 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 74.44 110.413 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.75 -54.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 54.15 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.53 -38.88 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.02 108.258 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.37 19.86 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 51.33 110.975 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 22.6 t80 -59.25 171.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 0.801 . . . . 75.23 111.022 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.592 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.4 pt-20 -127.13 117.97 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.43 110.275 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.82 ' OH ' HD11 ' A' ' 33' ' ' LEU . 45.4 t80 -94.14 132.71 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 75.3 111.016 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -121.89 97.71 45.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 63.11 109.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 45.12 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.17 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 45.42 109.305 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -92.09 -24.64 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 74.43 110.263 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.41 -145.0 17.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 41.43 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.4 t0 178.47 84.74 0.15 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 73.21 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 72.31 111.009 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -52.41 -24.7 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.25 109.312 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.88 ' OD1' HG23 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -123.03 -51.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 53.24 109.274 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.79 47.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 71.44 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.88 HG23 ' OD1' ' A' ' 22' ' ' ASN . 87.7 t -96.77 167.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 52.43 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -112.85 154.29 44.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.23 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 72.54 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.81 54.47 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 73.45 111.046 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 m -133.67 89.45 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 62.22 110.357 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -40.02 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 71.43 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 28.6 t80 -73.6 -14.83 61.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.5 110.988 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.39 -18.79 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.21 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.4 -22.3 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.14 109.24 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.82 HD11 ' OH ' ' A' ' 13' ' ' TYR . 13.1 mt -44.19 157.57 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.54 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 73.11 110.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.02 -19.33 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 70.23 109.338 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.31 23.98 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.24 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -91.75 147.14 23.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.995 -1.113 . . . . 74.11 107.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -144.6 171.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.21 109.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.61 135.47 71.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 50.1 108.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.43 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 63.24 110.987 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 11' ' ' TYR . 72.6 t -100.59 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 71.42 109.285 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -73.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.24 108.233 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.94 56.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 43.12 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.74 157.0 38.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 65.43 109.262 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.8 40.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 74.34 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.4 mtmp? -66.79 -17.16 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.25 109.367 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 t -63.32 -15.48 57.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 63.32 110.012 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -103.18 -35.88 8.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 50.45 110.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 9.8 m-85 -53.03 134.43 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.23 111.012 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -108.77 147.76 31.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 62.54 110.368 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.95 115.74 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 50.44 109.314 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 71.51 109.226 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.557 0.218 . . . . 63.21 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -108.49 -18.84 13.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 71.21 109.325 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.75 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 63.04 109.329 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 58.3 m-85 -126.4 178.69 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 73.43 111.027 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.529 HG23 ' CA ' ' A' ' 12' ' ' GLU . 8.7 p -160.47 144.69 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 61.21 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.64 151.4 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 62.02 108.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.419 HG22 ' OE1' ' A' ' 50' ' ' GLU . 57.4 p -114.02 -16.69 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.44 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -78.63 -49.76 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 54.15 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.508 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 11.7 p -97.82 -47.42 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.02 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.37 47.16 1.45 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 51.33 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CB ' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 -117.84 131.7 56.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 75.23 110.984 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.529 ' CA ' HG23 ' A' ' 5' ' ' VAL . 6.1 pt-20 -90.98 131.53 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 70.43 110.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -91.38 143.79 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 75.3 111.065 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -116.65 99.4 52.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 63.11 109.265 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 45.12 111.043 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.15 93.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 45.42 109.347 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -91.43 -13.73 31.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 74.43 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.49 -146.42 40.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 41.43 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -170.86 96.63 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 73.21 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 72.31 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -69.26 -52.34 28.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.453 1.096 . . . . 74.25 109.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -86.31 -18.87 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 53.24 109.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.39 10.64 19.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 71.44 111.001 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.62 95.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 52.43 109.277 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 154.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.23 109.371 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 97.08 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 72.54 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.37 45.65 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 73.45 111.04 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -124.13 85.8 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 62.22 110.404 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.9 m -49.47 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 71.43 110.067 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HA ' HD12 ' A' ' 33' ' ' LEU . 20.9 t80 -63.63 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.5 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.22 -16.69 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 74.21 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -94.01 -19.7 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 74.14 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 30' ' ' PHE . 32.5 mt -52.21 157.69 2.18 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.527 1.142 . . . . 74.54 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.16 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 73.11 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.71 -26.85 13.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.23 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -94.93 31.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 71.24 109.306 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -88.42 154.54 20.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 74.11 107.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.19 164.75 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 72.21 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.1 135.36 96.29 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 50.1 108.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.11 17.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.641 1.864 . . . . 63.24 111.031 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 11' ' ' TYR . 67.5 t -92.22 -59.54 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 71.42 109.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -74.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 63.24 108.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.4 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.416 1.072 . . . . 43.12 111.027 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.47 ' HB1' ' HG2' ' A' ' 48' ' ' GLU . . . -93.23 159.98 34.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 65.43 109.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.24 3.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 74.34 111.032 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.5 mtmp? -93.11 26.33 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 72.25 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -107.4 -12.1 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' OE1' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -105.81 -10.06 16.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 50.45 110.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CD1' ' OE1' ' A' ' 48' ' ' GLU . 13.3 m-85 -79.14 132.1 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.23 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 7' ' ' THR . 4.8 pt-20 -112.61 147.81 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 62.54 110.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.35 114.12 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 50.44 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 71.51 109.311 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.54 0.209 . . . . 63.21 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -64.87 -28.07 69.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 71.21 109.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -85.16 173.22 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 63.04 109.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.778 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 46.1 m-85 -141.57 165.26 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 73.43 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.81 140.13 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 61.21 109.264 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -73.72 128.92 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 62.02 108.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 74.44 110.421 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -117.62 -46.99 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 54.15 109.233 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.96 -64.27 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 71.02 108.245 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.06 71.2 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 51.33 110.988 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 30.2 t80 -97.39 175.09 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 75.23 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 3.3 pt-20 -133.61 62.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 70.43 110.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' OH ' HD11 ' A' ' 33' ' ' LEU . 74.3 t80 -58.57 132.97 55.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.3 111.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -125.49 98.33 35.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 63.11 109.299 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 45.12 111.065 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.93 -22.73 45.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 45.42 109.298 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.89 -6.84 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.43 110.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.53 -151.13 20.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.586 1.179 . . . . 41.43 110.986 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.62 98.69 2.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 73.21 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -7.09 18.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 72.31 110.948 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.23 -30.6 43.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 74.25 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.16 173.16 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 53.24 109.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.86 58.43 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 71.44 111.037 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 t -116.99 143.95 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 52.43 109.313 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -84.97 157.58 59.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 74.23 109.344 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 106.3 2.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.759 . . . . 72.54 111.082 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.57 65.92 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 73.45 111.003 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -139.33 120.47 14.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 0.736 . . . . 62.22 110.416 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -67.16 148.81 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 71.43 110.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 11.2 t80 -55.51 -33.23 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 71.5 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -73.75 -21.04 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.21 109.335 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -95.47 27.52 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.14 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD11 ' OH ' ' A' ' 13' ' ' TYR . 43.9 mt -96.25 156.99 36.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.54 109.343 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.61 26.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 73.11 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.88 8.77 33.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 70.23 109.262 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.18 21.93 10.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 71.24 109.32 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -95.31 153.17 17.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.11 108.034 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -145.02 -177.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 72.21 109.333 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.61 135.54 78.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 50.1 108.22 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -0.23 9.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 63.24 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.87 -60.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.42 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 -66.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 63.24 108.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.17 54.66 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 43.12 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.82 165.65 12.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 65.43 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -74.98 170.38 20.55 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.807 . . . . 74.34 111.022 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -64.79 -16.47 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.25 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -18.29 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 63.32 109.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.02 32.56 5.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 50.45 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -132.43 116.07 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.23 111.049 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -114.81 167.62 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 62.54 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.0 128.76 34.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 50.44 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 71.51 109.338 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.549 0.214 . . . . 63.21 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.85 124.51 35.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 71.21 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -116.79 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 63.04 109.278 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 69.5 m-85 -140.33 166.85 23.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 73.43 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.52 146.16 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 61.21 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.77 131.6 35.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.02 108.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -87.62 6.68 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 74.44 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -100.27 -43.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 54.15 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.51 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -107.97 -55.09 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 71.02 108.27 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.36 3.09 10.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.131 . . . . 51.33 110.996 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.66 147.42 52.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 75.23 110.958 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.88 126.85 53.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 70.43 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 20.4 t80 -92.63 129.71 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 75.3 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -109.98 100.3 42.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 63.11 109.269 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.0 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 45.12 111.029 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.58 -44.91 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 45.42 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.9 pm0 -112.91 -15.21 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 74.43 110.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.79 -125.57 8.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 41.43 111.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.95 99.05 0.74 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.753 . . . . 73.21 109.281 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.77 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 72.31 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.04 -53.86 29.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 74.25 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -79.8 -55.37 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 53.24 109.317 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.01 71.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 71.44 111.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.73 136.43 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 52.43 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -49.26 155.34 1.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.23 109.244 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.01 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 72.54 111.003 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.87 71.27 0.4 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 73.45 111.029 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -132.56 100.11 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 0.722 . . . . 62.22 110.383 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -55.36 158.78 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 71.43 110.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 23.9 t80 -60.73 -27.22 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.5 111.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.12 -18.48 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 74.21 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -22.53 23.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 74.14 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.85 158.81 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 74.54 109.288 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 178.4 7.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.451 1.764 . . . . 73.11 111.022 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.27 8.63 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 70.23 109.277 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -122.66 18.68 10.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 71.24 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -86.46 151.37 23.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.997 -1.112 . . . . 74.11 107.997 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.77 168.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 72.21 109.28 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.43 135.57 96.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 50.1 108.296 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 63.24 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' SG ' ' A' ' 9' ' ' CYS . 39.1 t -99.38 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.42 109.3 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -71.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.158 . . . . 63.24 108.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.33 45.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.09 . . . . 43.12 111.006 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -93.56 165.73 17.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 65.43 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.7 Cg_endo -74.96 -179.26 4.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.34 111.049 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -90.35 16.0 9.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 72.25 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -96.28 -9.62 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.32 110.003 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' THR . 11.3 mm-40 -107.05 -2.06 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 50.45 110.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.48 125.59 37.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 74.23 110.95 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -108.64 154.81 21.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 62.54 110.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.24 119.29 13.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 50.44 109.349 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 71.51 109.317 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.501 0.191 . . . . 63.21 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -109.12 -22.02 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.21 109.319 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -87.98 132.19 34.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 63.04 109.36 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 59.1 m-85 -104.83 146.27 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 61.21 109.254 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.68 163.24 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 62.02 108.327 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -124.22 18.79 9.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.44 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.03 -47.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 54.15 109.346 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.14 -45.07 4.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 71.02 108.259 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 3.02 23.68 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.482 1.114 . . . . 51.33 111.002 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CB ' HG21 ' A' ' 41' ' ' VAL . 12.6 t80 -69.33 141.69 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 75.23 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 141.73 33.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 70.43 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 88.1 t80 -94.95 128.53 41.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.3 111.052 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.97 100.32 42.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 63.11 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -11.68 21.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 45.12 110.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.89 90.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 45.42 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -105.11 -3.24 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.43 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -125.57 9.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 41.43 110.962 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' CE1' ' A' ' 13' ' ' TYR . 5.4 m-20 178.87 99.86 0.16 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 73.21 109.273 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -9.83 20.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 72.31 111.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.94 -31.41 68.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 74.25 109.36 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -109.98 -24.45 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 53.24 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.52 1.17 26.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 71.44 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.91 142.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 52.43 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -77.02 157.23 81.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.23 109.228 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.95 14.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.418 1.746 . . . . 72.54 111.05 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.94 41.16 2.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 73.45 111.032 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -121.82 87.85 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 62.22 110.379 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -47.33 157.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 71.43 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 14.0 t80 -67.25 -19.32 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 71.5 111.04 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.25 -19.35 26.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 74.21 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.62 -16.12 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 74.14 109.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 33' ' ' LEU . 15.9 mt -49.88 157.73 1.01 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 74.54 109.343 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 73.11 110.96 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.3 8.64 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 70.23 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.56 16.33 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 71.24 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -78.08 148.59 34.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.11 108.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.32 161.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 72.21 109.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.37 135.42 76.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 50.1 108.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.12 9.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 63.24 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.2 t -100.69 -58.96 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 71.42 109.279 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 -72.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 63.24 108.287 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.02 48.78 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 43.12 111.045 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.73 155.61 39.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 65.43 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 164.86 32.59 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.792 . . . . 74.34 111.033 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -69.15 -16.8 63.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 72.25 109.229 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -64.15 -12.4 39.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 63.32 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.49 -31.12 9.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 50.45 110.275 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.31 132.87 50.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.087 . . . . 74.23 111.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.0 158.04 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 62.54 110.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 112.6 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 50.44 109.335 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 71.51 109.364 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.578 0.227 . . . . 63.21 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -125.78 156.54 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 71.21 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HZ1' ' HG3' ' A' ' 12' ' ' GLU . 42.4 tttm -141.3 158.51 43.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 63.04 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.442 ' CG ' ' CE2' ' A' ' 30' ' ' PHE . 20.9 m-85 -132.1 163.76 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.43 111.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.53 147.62 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 61.21 109.346 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -83.08 120.24 25.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 62.02 108.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -83.97 7.75 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 74.44 110.42 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -93.98 -50.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 54.15 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -107.93 -48.81 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 71.02 108.285 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.38 0.35 9.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 51.33 110.994 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' HG21 ' A' ' 41' ' ' VAL . 35.8 t80 -70.54 127.44 32.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 0.788 . . . . 75.23 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' HG3' ' HZ1' ' A' ' 3' ' ' LYS . 11.2 pt-20 -87.67 125.82 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 70.43 110.238 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' OH ' HD21 ' A' ' 33' ' ' LEU . 19.3 t80 -81.26 132.86 35.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.3 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.608 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 23.1 t0 -111.75 99.96 46.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 63.11 109.264 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.4 Cg_endo -74.93 -3.67 14.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 45.12 111.051 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -78.46 -16.99 56.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 45.42 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -122.93 2.42 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 74.43 110.29 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.07 -124.17 31.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 41.43 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -167.14 99.91 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 73.21 109.254 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.35 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 72.31 111.049 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.26 -29.02 24.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.25 109.275 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -118.29 -175.94 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 53.24 109.271 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.87 72.2 2.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 71.44 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.84 149.35 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 52.43 109.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.52 156.16 37.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.23 109.231 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 88.34 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 72.54 111.024 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.31 66.25 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 73.45 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 32' ' ' ASP . 1.6 m -136.64 109.72 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 0.729 . . . . 62.22 110.394 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 p -54.36 157.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 71.43 109.997 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' ' CG ' ' A' ' 4' ' ' TYR . 16.6 t80 -62.37 -35.14 78.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 71.5 111.015 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.93 -18.13 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.21 109.256 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' THR . 11.9 t70 -84.27 -18.49 36.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.14 109.268 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' OH ' ' A' ' 13' ' ' TYR . 93.1 mt -55.97 156.48 9.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.54 109.264 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.16 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 73.11 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 8.56 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.052 . . . . 70.23 109.33 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.66 29.12 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 71.24 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -90.4 154.34 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 74.11 108.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.41 -179.22 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 72.21 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -78.68 135.5 60.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 50.1 108.315 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 63.24 111.044 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 11' ' ' TYR . 57.3 t -97.6 -59.56 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 71.42 109.247 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -71.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 63.24 108.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 56.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 43.12 111.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.748 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.77 156.68 38.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 65.43 109.304 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.08 25.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 74.34 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -58.91 -20.24 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 72.25 109.338 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.8 p -54.27 -22.38 11.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 63.32 110.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.748 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 1.6 mm-40 -96.66 -29.08 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 50.45 110.307 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -75.21 130.91 39.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.23 111.016 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 2.9 mm-40 -121.6 -178.62 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 62.54 110.323 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.16 123.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 50.44 109.388 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 71.51 109.334 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.458 0.171 . . . . 63.21 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.81 -23.83 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 71.21 109.209 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -77.67 168.24 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 63.04 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 51.7 m-85 -148.66 128.37 13.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 73.43 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -103.73 126.95 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 61.21 109.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.83 161.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 62.02 108.322 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -116.66 2.44 12.97 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 74.44 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -99.66 -49.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.15 109.372 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.6 p -113.31 -61.98 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 71.02 108.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.66 72.66 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 51.33 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 41' ' ' VAL . 5.6 t80 -118.84 108.07 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 75.23 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' TYR . 2.7 pt-20 -73.39 65.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 70.43 110.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 73.5 t80 -37.61 138.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 20.7 t70 -111.8 102.66 54.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 63.11 109.244 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.26 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.541 1.811 . . . . 45.12 110.997 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -80.79 -27.7 36.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 45.42 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 9.8 pt-20 -126.98 9.07 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 74.43 110.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.09 -121.71 26.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.441 1.088 . . . . 41.43 110.972 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -147.47 100.05 3.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 73.21 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.48 16.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 72.31 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.66 -39.05 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 74.25 109.258 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -114.01 -176.83 2.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 53.24 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.36 70.05 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 71.44 111.034 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -135.41 139.35 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 52.43 109.304 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -91.61 156.84 42.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 74.23 109.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 -7.1 18.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 72.54 111.101 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.15 37.32 3.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 73.45 111.008 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -135.84 117.46 14.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 62.22 110.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -81.86 176.52 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 71.43 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 29.4 t80 -72.28 -27.06 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 71.5 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.05 -22.33 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 74.21 109.278 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -88.53 -20.29 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.14 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.5 mt -48.24 154.94 0.98 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.182 . . . . 74.54 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.11 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.7 -14.73 14.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 70.23 109.318 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -102.01 28.97 5.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 71.24 109.259 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 38' ' ' VAL . 82.4 t90 -90.15 163.57 14.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 74.11 108.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 37' ' ' TRP . 27.1 m -157.35 163.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 72.21 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.35 135.23 93.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 50.1 108.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.95 -6.62 18.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 63.24 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG11 ' SG ' ' A' ' 9' ' ' CYS . 44.8 t -91.22 -58.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 71.42 109.297 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.86 -70.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 63.24 108.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.02 54.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 43.12 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -107.45 168.8 7.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.588 0.816 . . . . 65.43 109.255 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 172.59 16.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 74.34 111.018 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -64.75 -15.82 62.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 72.25 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -62.6 -15.65 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.32 109.948 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 7' ' ' THR . 16.0 mm-40 -107.69 24.11 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 50.45 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.68 115.88 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 74.23 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -104.89 160.18 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 62.54 110.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.19 132.94 34.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 50.44 109.263 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 71.51 109.366 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.535 0.207 . . . . 63.21 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -97.95 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 71.21 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.597 ' C ' ' HB2' ' A' ' 52' ' ' ALA . 5.9 mtmp? -113.77 168.13 10.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 63.04 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.627 ' N ' ' HB2' ' A' ' 52' ' ' ALA . 19.4 m-85 -155.07 147.75 24.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 73.43 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 51' ' ' ALA . 14.7 p -109.07 147.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 61.21 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.71 124.7 37.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 62.02 108.292 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -76.64 -2.29 32.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 74.44 110.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.47 -44.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 54.15 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -107.57 -59.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 71.02 108.334 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.76 11.75 9.09 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.477 1.111 . . . . 51.33 111.018 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.26 151.93 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 75.23 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.48 122.1 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 70.43 110.305 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -91.96 114.0 26.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 75.3 111.021 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.07 100.09 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 63.11 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 45.12 111.003 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.06 -22.92 65.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 45.42 109.234 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.16 -29.09 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.43 110.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.14 -174.82 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 41.43 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.99 97.44 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 73.21 109.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.89 19.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 72.31 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.88 -28.58 66.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 74.25 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -110.25 -22.65 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.24 109.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.86 13.96 14.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 71.44 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.43 157.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 52.43 109.264 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -94.46 162.28 26.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.23 109.216 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.02 10.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 72.54 111.024 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 50.41 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.513 1.133 . . . . 73.45 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -127.21 107.2 9.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 62.22 110.382 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -66.95 153.23 44.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.43 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 6.7 t80 -61.14 -26.91 68.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 71.5 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.25 -14.46 59.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 74.21 109.29 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -103.71 20.43 18.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.14 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 13' ' ' TYR . 19.5 mt -83.59 155.36 65.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.54 109.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.537 1.809 . . . . 73.11 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.87 8.59 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 70.23 109.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -125.26 26.8 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 71.24 109.294 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.427 ' C ' HG13 ' A' ' 38' ' ' VAL . 67.4 t90 -79.61 156.87 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 74.11 107.993 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 37' ' ' TRP . 18.9 m -152.19 146.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.21 109.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.6 t -50.9 135.51 27.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 50.1 108.262 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -0.29 9.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.24 111.04 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 9' ' ' CYS . 94.4 t -96.39 -61.68 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 71.42 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.76 -63.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 63.24 108.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.95 48.71 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 43.12 110.929 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -102.16 154.87 37.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 65.43 109.284 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.41 6.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.782 . . . . 74.34 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -14.82 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 72.25 109.31 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -52.49 -21.26 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 63.32 110.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 19.7 mm-40 -91.88 -71.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 50.45 110.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -39.37 136.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.23 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 15.1 pt-20 -119.44 -52.46 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.54 110.231 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.947 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -171.14 169.08 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 50.44 109.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' N ' ' A' ' 4' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 71.51 109.374 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' CB ' ' HD2' ' A' ' 2' ' ' LYS . 2.2 mpt? . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.476 0.179 . . . . 63.21 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -125.38 116.05 21.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 71.21 109.315 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' ALA . 68.6 mttt -63.68 172.25 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 63.04 109.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.696 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 50.0 m-85 -140.17 122.58 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.43 110.994 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.29 146.46 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 61.21 109.336 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.27 119.39 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 62.02 108.26 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -96.9 35.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.057 . . . . 74.44 110.439 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -127.62 -48.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 54.15 109.328 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.491 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 21.5 p -106.97 -49.4 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 71.02 108.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 63.19 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 51.33 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.69 ' HB2' HG21 ' A' ' 41' ' ' VAL . 27.3 t80 -128.88 153.73 47.19 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 0.784 . . . . 75.23 110.998 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.63 128.67 55.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 70.43 110.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -101.42 132.76 46.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 75.3 110.963 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 6.3 t70 -109.94 100.3 42.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 63.11 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.584 1.834 . . . . 45.12 110.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -79.88 -28.98 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 45.42 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 9.8 pt-20 -111.56 -22.51 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.43 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 -127.25 9.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 41.43 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -166.77 99.58 0.67 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 73.21 109.3 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.548 1.815 . . . . 72.31 110.958 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -77.34 -28.7 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 74.25 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -124.03 -176.94 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 53.24 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.09 67.25 2.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 71.44 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.2 t -125.4 169.31 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 52.43 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -128.83 158.28 72.88 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 74.23 109.341 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 -6.75 18.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 72.54 111.021 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.72 48.53 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 73.45 110.984 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -141.55 138.92 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 62.22 110.409 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -92.66 166.31 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 71.43 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 12.4 t80 -72.66 -31.63 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.5 110.977 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.08 -18.56 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 74.21 109.3 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -88.02 -23.75 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 74.14 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -41.77 155.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.54 109.305 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.821 . . . . 73.11 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.94 8.54 22.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 70.23 109.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -119.89 19.12 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 71.24 109.326 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' C ' HG13 ' A' ' 38' ' ' VAL . 85.2 t90 -89.22 156.94 18.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.975 -1.121 . . . . 74.11 107.975 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 37' ' ' TRP . 16.3 m -152.95 166.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 72.21 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.51 135.54 85.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 50.1 108.282 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.94 -0.81 10.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 63.24 111.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 11' ' ' TYR . 34.6 t -97.85 -58.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 71.42 109.249 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.89 -71.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.24 108.239 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.04 47.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 43.12 110.993 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -89.1 166.71 20.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 0.731 . . . . 65.43 109.343 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.08 153.26 41.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 74.34 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -63.65 -14.51 52.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 72.25 109.305 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -76.88 -10.73 59.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 63.32 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -105.35 14.82 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 50.45 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -105.75 102.22 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 74.23 111.078 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.17 118.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.54 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.19 99.46 7.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 50.44 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB3' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 71.51 109.283 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.473 0.178 . . . . 63.21 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -84.08 -16.24 44.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 71.21 109.336 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 6.8 mtpm? -106.23 169.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 63.04 109.27 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 61.1 m-85 -152.79 156.12 38.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 73.43 111.003 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.47 148.25 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 61.21 109.354 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.19 141.56 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 62.02 108.349 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.2 p -93.99 2.31 56.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 74.44 110.43 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -101.09 -44.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 54.15 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.549 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.7 m -100.69 -58.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 71.02 108.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.01 8.49 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 51.33 111.01 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 14.0 t80 -82.85 155.63 24.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 75.23 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 7.1 pt-20 -113.04 136.49 52.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 70.43 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.38 140.35 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 75.3 110.991 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -110.2 100.07 42.53 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 63.11 109.324 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.92 19.6 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 45.12 111.051 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.46 -49.81 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 45.42 109.333 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.44 12.62 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 74.43 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.25 -130.35 50.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 41.43 111.057 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 34.4 t70 -166.21 102.71 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 73.21 109.295 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.92 20.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 72.31 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.4 -38.25 83.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 74.25 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 24' ' ' VAL . 22.2 p30 -116.87 -175.18 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 53.24 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.53 66.3 3.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 71.44 111.075 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 22' ' ' ASN . 37.9 t -112.42 106.5 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 52.43 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 154.71 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.23 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 97.04 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 72.54 110.983 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 75.83 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.123 . . . . 73.45 110.918 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -142.5 97.78 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 62.22 110.377 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -57.96 169.17 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 71.43 109.977 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 50.9 t80 -69.66 -31.04 68.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 71.5 111.043 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.44 -16.27 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.21 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.19 -23.32 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 74.14 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 30' ' ' PHE . 17.1 mt -43.99 158.55 0.26 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 74.54 109.329 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.449 1.762 . . . . 73.11 110.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 8.72 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 70.23 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.36 23.96 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 71.24 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -88.44 141.42 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.11 108.024 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.99 154.85 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 72.21 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.29 135.44 5.45 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 50.1 108.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -0.17 9.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 63.24 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.549 HG11 ' SG ' ' A' ' 9' ' ' CYS . 99.6 t -97.79 -61.97 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 71.42 109.276 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.88 -68.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 63.24 108.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.48 60.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 43.12 111.003 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -103.01 164.73 14.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 65.43 109.268 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.06 156.84 42.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.812 . . . . 74.34 111.036 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -65.1 -16.11 63.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 72.25 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -65.91 -19.34 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 63.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.56 -33.2 16.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 50.45 110.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.16 134.24 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.23 111.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -112.44 155.83 23.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 62.54 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.19 105.12 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 50.44 109.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.51 109.368 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' H2 ' ' C ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.472 0.177 . . . . 63.21 110.978 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 tptm 75.78 14.71 2.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 71.21 109.269 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -127.69 154.79 44.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 63.04 109.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -115.39 157.53 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 73.43 110.935 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.52 159.26 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 61.21 109.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 t -92.29 121.4 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 62.02 108.239 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 p -75.69 -2.34 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.44 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.62 -51.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 54.15 109.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.4 -58.66 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 71.02 108.358 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.76 13.83 9.13 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 51.33 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.73 126.74 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.746 . . . . 75.23 110.982 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.5 136.06 36.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 70.43 110.33 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.677 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 59.6 t80 -91.82 124.98 36.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 75.3 110.947 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 10.3 t70 -105.23 105.36 51.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 63.11 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -25.53 11.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 45.12 110.941 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -44.69 -35.86 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 45.42 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.75 -28.97 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.43 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.87 -134.64 12.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 41.43 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -174.78 82.2 0.33 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.21 109.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -18.69 18.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 72.31 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.22 -49.51 60.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 74.25 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -85.14 -68.75 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 53.24 109.34 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.48 68.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 71.44 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.36 160.34 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 52.43 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -92.78 157.24 39.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.23 109.295 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 72.54 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.87 61.54 0.62 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.506 1.129 . . . . 73.45 111.024 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -146.62 107.33 4.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 62.22 110.42 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -66.96 167.67 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 71.43 110.058 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 11.7 t80 -60.18 -29.74 68.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 71.5 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -76.01 -17.42 59.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 74.21 109.303 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.2 18.42 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.14 109.309 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 25.8 mt -87.34 156.63 53.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.54 109.357 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.788 . . . . 73.11 111.007 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.33 37.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 70.23 109.29 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -96.33 23.34 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.24 109.317 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -89.58 134.31 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 74.11 108.047 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.82 147.8 33.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 72.21 109.276 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.9 t -45.1 135.57 5.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 50.1 108.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.11 9.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 63.24 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.64 -63.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.111 . . . . 71.42 109.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 p -106.8 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 63.24 108.361 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.31 48.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 43.12 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.57 159.29 35.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.813 . . . . 65.43 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 74.34 111.035 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 53.6 mtmt -69.05 -19.86 64.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 72.25 109.357 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -65.45 -20.21 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 63.32 110.03 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -97.6 4.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 50.45 110.246 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -107.48 110.48 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 74.23 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -92.31 153.42 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 62.54 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 119.72 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 50.44 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' C ' ' H2 ' ' A' ' 1' ' ' MET . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 71.51 109.346 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.577 0.227 . . . . 63.21 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.1 104.66 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 71.21 109.312 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -123.21 156.07 35.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.04 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.7 158.55 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 73.43 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.29 142.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 61.21 109.275 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 8.1 t -77.77 121.68 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 62.02 108.317 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -75.9 -1.04 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.44 110.411 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.22 -44.11 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.15 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.08 -56.48 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 71.02 108.338 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 114.31 13.42 9.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.12 . . . . 51.33 111.02 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -81.83 139.36 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 75.23 111.035 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.94 119.97 33.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 70.43 110.298 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.0 t80 -74.43 120.72 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.3 110.993 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.52 104.28 49.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 63.11 109.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 45.12 110.954 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.43 -28.24 23.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 45.42 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.6 pt-20 -101.87 -31.01 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.43 110.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.74 -163.91 46.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 41.43 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -158.14 92.37 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 73.21 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 72.31 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -63.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.25 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.908 ' OD1' HG23 ' A' ' 24' ' ' VAL . 11.4 p30 -75.1 -34.73 61.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 53.24 109.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 126.81 65.85 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 71.44 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 22' ' ' ASN . 88.1 t -129.71 166.5 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 52.43 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 24' ' ' VAL . 4.5 mptt -94.49 157.8 36.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 74.23 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.95 0.17 9.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 72.54 110.98 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.7 68.19 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.144 . . . . 73.45 111.06 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -130.85 111.52 12.18 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 0.71 . . . . 62.22 110.406 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -66.44 150.4 48.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 71.43 109.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.31 -20.42 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 71.5 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.18 -18.43 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.21 109.234 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.51 15.83 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 74.14 109.335 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.61 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 32.5 mt -86.72 154.99 56.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 74.54 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 167.25 27.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 73.11 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 8.59 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 70.23 109.237 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.17 29.85 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 71.24 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -79.95 147.45 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.11 107.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.0 m -135.75 149.54 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 72.21 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -54.9 135.55 66.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 50.1 108.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.485 1.782 . . . . 63.24 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -96.58 -61.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 71.42 109.298 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 p -106.3 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 63.24 108.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.74 51.73 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 43.12 111.053 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.98 154.55 41.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 65.43 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 74.34 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -63.46 -14.14 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 72.25 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 m -61.88 -13.99 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.32 110.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.586 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 3.7 mm-40 -116.62 18.56 14.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 50.45 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -123.24 114.92 20.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.23 111.04 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -105.93 142.6 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 62.54 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.66 108.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 50.44 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.51 109.291 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.497 0.189 . . . . 63.21 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -84.59 -29.26 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 71.21 109.368 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 153.98 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 63.04 109.315 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 54.2 m-85 -148.74 144.6 27.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.43 110.935 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 12' ' ' GLU . 12.0 p -124.2 152.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 61.21 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 3.9 t -92.26 96.36 10.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 62.02 108.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.692 HG21 ' OE2' ' A' ' 50' ' ' GLU . 1.4 t -65.93 -11.55 48.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.44 110.339 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.98 -55.85 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 54.15 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.85 -55.61 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.02 108.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 133.87 -9.21 4.86 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.467 1.104 . . . . 51.33 110.982 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 53.0 t80 -61.32 145.43 51.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 75.23 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 5' ' ' VAL . 24.7 mt-10 -111.1 139.49 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.43 110.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -110.43 146.32 36.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 75.3 110.998 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -132.96 130.82 21.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.11 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.54 1.811 . . . . 45.12 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.9 -50.53 11.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 45.42 109.36 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 18.4 pt-20 -85.26 -39.76 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 74.43 110.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 89.21 -134.8 12.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.138 . . . . 41.43 111.066 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 177.65 90.03 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 0.808 . . . . 73.21 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -10.17 21.28 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 72.31 111.047 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -40.52 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.25 109.263 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -96.43 -75.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 53.24 109.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.6 40.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 71.44 110.97 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 25' ' ' LYS . 23.3 t -97.42 169.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.769 . . . . 52.43 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.29 155.49 53.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.23 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 72.54 111.021 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.31 70.62 0.63 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 73.45 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -147.95 109.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 62.22 110.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.8 p -44.86 145.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.43 110.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 19.0 t80 -62.49 -24.01 67.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 71.5 110.97 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.15 -16.81 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 74.21 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.15 20.88 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 74.14 109.326 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -92.81 156.29 40.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.54 109.311 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 73.11 111.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 -18.27 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 70.23 109.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.78 24.32 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.24 109.334 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -93.31 140.51 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 74.11 107.991 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 m -130.84 169.37 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 72.21 109.279 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -63.74 135.93 96.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 50.1 108.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.2 10.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 63.24 111.03 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 89.4 t -99.32 -56.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 71.42 109.233 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.9 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 63.24 108.261 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.93 47.61 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 43.12 111.012 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -95.58 165.56 16.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 65.43 109.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 164.82 32.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 74.34 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -64.25 -15.77 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 72.25 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -66.37 -12.65 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.32 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 7' ' ' THR . 20.7 mm-40 -102.39 3.42 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 50.45 110.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.26 103.69 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 74.23 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.692 ' OE2' HG21 ' A' ' 7' ' ' THR . 1.2 mp0 -86.24 159.69 19.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 62.54 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.86 131.17 34.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 50.44 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 71.51 109.302 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 mmt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.521 0.201 . . . . 63.21 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -99.25 17.95 18.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 71.21 109.247 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.542 ' HZ3' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -83.0 154.27 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 63.04 109.347 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.784 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 25.0 m-85 -122.37 134.64 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.43 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG23 ' HG2' ' A' ' 12' ' ' GLU . 9.9 p -125.11 153.49 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 61.21 109.289 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.6 t -87.16 137.89 31.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 62.02 108.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 p -99.97 12.49 36.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 74.44 110.388 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.15 -46.2 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 54.15 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.68 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.02 108.273 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.2 0.26 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.444 1.09 . . . . 51.33 111.051 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.25 123.43 46.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 75.23 110.996 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 5' ' ' VAL . 3.5 mm-40 -76.95 138.01 39.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 70.43 110.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 47.9 t80 -96.03 165.79 12.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 75.3 111.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.727 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.1 t70 -152.5 104.51 2.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 63.11 109.308 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -5.69 17.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.446 1.761 . . . . 45.12 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.727 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -74.72 -33.31 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 45.42 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.94 -28.29 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.43 110.319 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.19 -145.33 21.32 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.518 1.136 . . . . 41.43 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -170.75 99.41 0.43 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 0.799 . . . . 73.21 109.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 72.31 111.032 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.27 -64.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 74.25 109.242 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -78.14 -68.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 53.24 109.255 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.7 76.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 71.44 110.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.04 139.38 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 0.736 . . . . 52.43 109.261 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.99 155.8 72.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 74.23 109.248 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 85.56 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.526 1.803 . . . . 72.54 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.98 64.49 0.1 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 73.45 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 m -134.57 106.81 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 62.22 110.388 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -51.28 148.56 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 71.43 110.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.784 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 41.4 t80 -63.39 -32.34 73.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 71.5 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -16.15 59.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 74.21 109.258 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -90.58 -24.65 20.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.14 109.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.8 mt -42.97 154.67 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.54 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.92 21.56 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.458 1.768 . . . . 73.11 111.051 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.39 9.01 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.23 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -121.97 21.1 10.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.24 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.466 ' CD2' HD13 ' A' ' 33' ' ' LEU . 81.6 t90 -91.23 149.92 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 74.11 107.977 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.72 175.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 72.21 109.341 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.97 135.54 89.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 50.1 108.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.09 9.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 63.24 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -98.22 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 71.42 109.328 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -111.63 -70.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 63.24 108.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.68 52.94 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 43.12 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -101.87 157.52 33.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 65.43 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.81 15.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 74.34 111.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 30.8 mtmt -73.11 -15.16 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 72.25 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -65.4 -11.16 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 63.32 110.041 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 9.5 mt-10 -104.56 -25.63 12.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 50.45 110.263 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.59 123.33 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.23 111.014 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.75 168.88 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 62.54 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.76 102.8 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 50.44 109.357 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 71.51 109.27 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.503 0.192 . . . . 63.21 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.66 -15.93 62.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 71.21 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -97.75 156.76 16.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 63.04 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 30' ' ' PHE . 54.7 m-85 -144.45 148.07 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 73.43 111.011 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.7 p -125.22 142.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 61.21 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -77.98 147.82 34.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 62.02 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -107.74 -5.78 17.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.44 110.415 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -83.8 -63.88 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 54.15 109.319 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' SG ' HG11 ' A' ' 41' ' ' VAL . 5.1 p -90.05 -41.26 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 71.02 108.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 14.18 17.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 51.33 110.948 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 56.6 t80 -75.09 170.17 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 0.707 . . . . 75.23 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 1.7 pp20? -135.03 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 70.43 110.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -120.99 146.19 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.3 111.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -122.88 132.78 24.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.11 109.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 45.12 110.987 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.34 45.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 45.42 109.332 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -84.31 -43.48 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.43 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.24 -153.62 37.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.439 1.087 . . . . 41.43 110.948 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -155.92 99.19 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 73.21 109.241 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -40.5 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 72.31 111.076 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -59.22 -59.07 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 74.25 109.294 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -43.8 -32.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 53.24 109.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 17.8 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 71.44 111.017 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t -101.67 135.15 39.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 52.43 109.371 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.48 155.77 26.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 74.23 109.324 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.578 1.831 . . . . 72.54 111.028 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.73 53.9 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 73.45 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -141.28 138.79 33.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 0.76 . . . . 62.22 110.435 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 p -94.53 -177.01 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 71.43 109.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 29.6 t80 -78.22 -24.07 47.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 71.5 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.27 -18.01 47.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 74.21 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 -17.19 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.14 109.327 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 37' ' ' TRP . 22.5 mt -49.9 155.51 1.51 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 74.54 109.336 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 147.6 34.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 73.11 111.024 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -16.66 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.23 109.197 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -103.45 33.35 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 71.24 109.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CD1' HD22 ' A' ' 33' ' ' LEU . 77.1 t90 -84.53 143.41 29.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 74.11 107.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.73 159.44 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 72.21 109.237 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.53 135.51 96.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 50.1 108.305 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.58 10.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 63.24 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.2 t -99.12 -56.18 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.42 109.313 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -71.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 63.24 108.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.0 46.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.166 . . . . 43.12 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.588 ' HB1' ' OE2' ' A' ' 48' ' ' GLU . . . -100.68 154.47 37.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 65.43 109.318 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.07 11.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 74.34 110.973 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -15.5 48.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.25 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 t -60.63 -16.13 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 63.32 109.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.588 ' OE2' ' HB1' ' A' ' 44' ' ' ALA . 2.7 mt-10 -115.77 21.49 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 50.45 110.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -123.99 113.76 18.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 74.23 111.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.98 179.62 4.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 62.54 110.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.88 134.33 34.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 50.44 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 71.51 109.277 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mmm . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.475 0.179 . . . . 63.21 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.18 17.34 12.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 71.21 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -109.69 160.49 16.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 63.04 109.324 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.675 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 92.7 m-85 -126.85 163.75 22.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.43 111.032 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.66 144.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 61.21 109.241 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 t -77.3 137.5 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 62.02 108.292 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -88.74 15.21 8.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 74.44 110.429 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -117.64 -50.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 54.15 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.567 ' SG ' HG11 ' A' ' 41' ' ' VAL . 2.1 m -94.93 -55.75 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 71.02 108.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.13 6.62 22.23 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.479 1.112 . . . . 51.33 110.982 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -73.58 139.22 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 0.815 . . . . 75.23 111.017 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -101.68 123.55 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 70.43 110.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 2.9 t80 -92.79 147.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.3 110.953 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 11.3 t0 -122.45 132.37 24.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 63.11 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -34.76 3.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 45.12 110.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -48.16 -53.93 15.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 45.42 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.33 -50.65 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 74.43 110.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.15 -124.02 7.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 41.43 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.13 95.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 73.21 109.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.573 1.828 . . . . 72.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -72.09 -42.67 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.25 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -84.6 -15.96 43.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 53.24 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.56 6.8 40.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 71.44 111.018 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.15 135.19 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 52.43 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -71.46 156.33 91.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.23 109.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.452 1.764 . . . . 72.54 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.49 55.78 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.586 1.179 . . . . 73.45 110.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.1 m -137.26 114.11 10.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 62.22 110.379 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -71.89 155.76 40.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 71.43 110.022 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 21.8 t80 -58.75 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 71.5 110.976 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -17.79 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.21 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -93.58 16.13 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.14 109.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.01 156.99 66.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 74.54 109.297 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 73.11 110.963 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.47 -15.25 15.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 70.23 109.302 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.99 25.58 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 71.24 109.26 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.709 ' O ' HG13 ' A' ' 38' ' ' VAL . 84.0 t90 -102.23 162.28 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 74.11 108.04 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 37' ' ' TRP . 4.0 m -160.08 -173.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 72.21 109.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -68.06 135.5 91.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 50.1 108.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -2.33 12.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 63.24 111.043 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' SG ' ' A' ' 9' ' ' CYS . 46.3 t -94.98 -62.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 71.42 109.31 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.97 -69.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 63.24 108.264 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.18 51.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 43.12 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.51 159.75 33.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 65.43 109.205 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.74 39.62 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.416 1.745 . . . . 74.34 110.929 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 23.6 mtmt -63.02 -17.0 61.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 72.25 109.276 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -64.87 -15.6 62.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 63.32 110.026 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -106.25 15.56 26.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 50.45 110.265 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -115.22 107.8 15.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.6 1.188 . . . . 74.23 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.39 160.68 14.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 62.54 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.64 112.99 13.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 50.44 109.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 71.51 109.293 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.485 0.183 . . . . 63.21 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -147.88 129.4 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 71.21 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -71.96 147.32 47.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 63.04 109.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 26.8 m-85 -110.26 165.69 11.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 73.43 111.007 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.01 149.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.362 1.039 . . . . 61.21 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 t -85.65 135.26 33.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 62.02 108.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -87.01 11.43 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.44 110.432 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -109.85 -52.39 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 54.15 109.26 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -96.21 -56.92 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 71.02 108.242 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.08 7.87 11.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 51.33 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.99 144.97 36.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 75.23 110.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.18 137.53 47.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 70.43 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -105.18 145.51 30.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.185 . . . . 75.3 110.99 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.7 t70 -119.51 132.41 24.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 63.11 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.09 19.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 45.12 110.985 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -83.34 -29.22 28.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 45.42 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.14 -5.38 18.03 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 74.43 110.257 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 39.3 -144.98 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 41.43 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -147.56 86.44 6.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 73.21 109.291 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.93 19.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 72.31 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.65 -19.27 60.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 74.25 109.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -102.54 -52.85 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 53.24 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.82 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 71.44 111.019 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -48.82 125.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 52.43 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -60.06 155.31 45.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.23 109.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.44 9.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.537 1.809 . . . . 72.54 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.54 43.69 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 73.45 110.942 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -128.15 97.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 0.72 . . . . 62.22 110.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 p -48.98 165.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 71.43 110.008 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE2' ' CD2' ' A' ' 4' ' ' TYR . 13.6 t80 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 71.5 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.09 -18.96 55.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 74.21 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.49 23.22 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 74.14 109.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.9 mt -85.11 156.12 60.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 74.54 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 155.7 43.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 73.11 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.15 -20.79 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 70.23 109.336 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.59 30.54 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 71.24 109.296 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -94.0 147.3 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 74.11 108.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.56 158.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 72.21 109.232 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.84 135.42 8.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 50.1 108.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.498 1.788 . . . . 63.24 111.03 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.533 HG11 ' SG ' ' A' ' 9' ' ' CYS . 58.7 t -94.22 -62.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.42 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.16 -68.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 63.24 108.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.7 61.44 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 43.12 111.003 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 158.43 31.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 65.43 109.284 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 148.9 36.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.449 1.763 . . . . 74.34 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.36 -23.66 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.25 109.303 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -57.51 -17.8 15.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 63.32 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.54 -29.83 12.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 50.45 110.273 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.39 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.23 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.3 143.07 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 62.54 110.344 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.29 104.1 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 50.44 109.351 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 71.51 109.298 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.344 -0.613 . . . . 63.039999999999999 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' GLU . 28.2 m-85 -139.88 167.06 22.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 73.430000000000007 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.16 146.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 61.210000000000001 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -75.64 144.88 41.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.020000000000003 108.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -106.85 21.59 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 74.439999999999998 110.425 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -119.56 -47.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 54.149999999999999 109.229 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.552 ' CB ' HG11 ' A' ' 41' ' ' VAL . 1.9 p -101.85 -49.9 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.019999999999996 108.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.32 4.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.433 1.083 . . . . 51.329999999999998 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -98.03 142.22 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 75.230000000000004 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -100.45 144.03 29.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 70.430000000000007 110.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 11.3 t80 -101.81 134.45 44.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 111.022 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -112.45 98.88 45.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 63.109999999999999 109.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.483 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.5 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 45.119999999999997 111.042 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.66 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 45.420000000000002 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -109.93 -2.83 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.430000000000007 110.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.13 13.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.093 . . . . 41.43 111.03 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.33 84.99 59.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 73.209999999999994 109.315 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -13.31 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 72.310000000000002 111.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.94 -21.22 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 74.25 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -108.43 -27.67 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 53.240000000000002 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.97 1.17 8.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 71.439999999999998 111.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -71.74 139.63 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 0.805 . . . . 52.43 109.303 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.91 155.93 88.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.95 13.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 72.540000000000006 111.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.03 49.6 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.589 1.181 . . . . 73.450000000000003 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m -134.79 114.41 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 62.219999999999999 110.5 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -77.84 167.55 21.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 110.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -59.0 -33.43 70.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 71.5 110.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 -19.69 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -89.54 -25.12 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.140000000000001 109.354 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 mt -45.11 158.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.540000000000006 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 166.36 29.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.413 1.743 . . . . 73.109999999999999 111.052 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.01 -16.44 47.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 70.230000000000004 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -105.62 36.69 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.239999999999995 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -91.79 153.67 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 74.109999999999999 108.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -147.97 150.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 72.209999999999994 109.256 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.93 135.39 28.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 50.100000000000001 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 63.240000000000002 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG11 ' CB ' ' A' ' 9' ' ' CYS . 51.9 t -93.5 -60.79 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 71.420000000000002 109.227 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.04 -70.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 63.240000000000002 108.231 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.15 60.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 43.119999999999997 111.053 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -113.23 162.1 23.73 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 65.430000000000007 109.299 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -74.96 169.76 21.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 74.340000000000003 110.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.94 -15.57 32.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 72.25 109.282 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -62.41 -17.17 58.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 63.32 109.978 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.694 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 17.4 mm-40 -100.84 -5.85 25.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 50.450000000000003 110.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -100.61 125.86 47.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 110.961 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 19.3 mm-40 -113.4 -177.71 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.539999999999999 110.264 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.17 122.09 30.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 50.439999999999998 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 71.510000000000005 109.329 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 63.039999999999999 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -112.02 122.69 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.430000000000007 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -79.88 179.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 61.210000000000001 109.265 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.4 t -106.73 141.78 37.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 62.020000000000003 108.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 p -99.82 24.58 8.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 110.419 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.64 -50.99 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 54.149999999999999 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -106.65 -38.28 6.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 71.019999999999996 108.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.74 1.81 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 51.329999999999998 111.022 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CB ' HG21 ' A' ' 41' ' ' VAL . 7.4 t80 -64.97 155.61 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 75.230000000000004 110.978 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -114.25 139.29 49.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 70.430000000000007 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -104.63 154.42 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.299999999999997 110.939 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 16' ' ' ALA . 9.6 t0 -135.97 98.32 11.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 63.109999999999999 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.42 20.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 45.119999999999997 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 14' ' ' ASP . . . -68.5 -30.1 68.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 45.420000000000002 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.9 -32.05 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 110.321 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.12 -158.16 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 41.43 111.031 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -160.43 85.38 1.96 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 73.209999999999994 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.04 14.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 72.310000000000002 110.975 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -70.22 -48.5 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 109.276 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.406 HD22 ' N ' ' A' ' 22' ' ' ASN . 1.6 m-80 -90.98 -66.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 53.240000000000002 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.89 60.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.83 120.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 52.43 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -55.87 155.23 11.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 72.540000000000006 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.17 58.26 0.48 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 73.450000000000003 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -130.0 98.22 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 0.797 . . . . 62.219999999999999 110.375 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.5 156.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 18.1 t80 -61.34 -38.24 86.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.5 111.045 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.92 -19.19 63.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 74.209999999999994 109.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.16 30.5 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.140000000000001 109.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 71.9 mt -99.98 157.65 33.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.54 42.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.441 1.758 . . . . 73.109999999999999 110.97 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.55 -15.84 61.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 70.230000000000004 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -101.84 32.01 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 71.239999999999995 109.316 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.437 ' C ' HG13 ' A' ' 38' ' ' VAL . 88.0 t90 -97.05 162.56 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 108.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG13 ' C ' ' A' ' 37' ' ' TRP . 19.5 m -152.82 -176.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 72.209999999999994 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.61 135.58 78.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 50.100000000000001 108.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 63.240000000000002 110.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.1 t -101.37 -58.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 71.420000000000002 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.48 -74.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.240000000000002 108.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.29 58.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 43.119999999999997 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.25 161.13 23.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 65.430000000000007 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -75.0 164.24 33.75 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.809 . . . . 74.340000000000003 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -64.9 -18.59 65.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.25 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -63.86 -12.96 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 63.32 109.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.76 44.61 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 50.450000000000003 110.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 14.3 m-85 -141.24 130.34 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 74.230000000000004 110.985 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.93 165.47 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 62.539999999999999 110.359 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.97 149.3 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 50.439999999999998 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 71.510000000000005 109.312 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 63.039999999999999 109.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.654 ' CD2' ' CG ' ' A' ' 30' ' ' PHE . 16.5 m-85 -142.79 150.28 39.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 73.430000000000007 111.055 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.12 156.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 61.210000000000001 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.5 t -90.53 126.5 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 62.020000000000003 108.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -80.97 3.2 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 74.439999999999998 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.43 -47.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.556 1.16 . . . . 54.149999999999999 109.352 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.8 m -103.59 -58.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 71.019999999999996 108.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.82 9.89 10.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 51.329999999999998 110.921 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.02 121.58 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 75.230000000000004 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -75.41 130.05 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 110.3 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' OH ' HD21 ' A' ' 33' ' ' LEU . 88.5 t80 -97.42 121.26 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 75.299999999999997 110.962 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -110.24 99.92 42.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 63.109999999999999 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.19 9.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.432 1.754 . . . . 45.119999999999997 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.23 68.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 45.420000000000002 109.344 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -95.67 -37.03 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.312 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 -176.22 26.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 41.43 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.22 96.46 0.95 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.564 0.802 . . . . 73.209999999999994 109.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.17 21.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 72.310000000000002 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.38 -45.42 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 74.25 109.35 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -85.31 -16.47 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 53.240000000000002 109.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 5.98 32.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 71.439999999999998 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.5 t -65.06 174.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 52.43 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.624 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.97 160.89 54.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.230000000000004 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.3 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 72.540000000000006 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.84 49.08 0.8 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 73.450000000000003 110.986 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -124.74 94.7 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 62.219999999999999 110.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -44.24 151.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 71.430000000000007 110.014 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.654 ' CG ' ' CD2' ' A' ' 4' ' ' TYR . 27.6 t80 -55.72 -28.54 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 71.5 111.004 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.1 -21.36 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.31 19.34 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.278 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.5 mt -80.99 155.41 72.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 74.540000000000006 109.239 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.22 25.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 73.109999999999999 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.96 -16.0 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 70.230000000000004 109.327 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.56 31.71 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.239999999999995 109.261 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.5 ' O ' HG13 ' A' ' 38' ' ' VAL . 88.3 t90 -100.15 162.01 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 74.109999999999999 107.98 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 37' ' ' TRP . 22.3 m -155.72 -178.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 72.209999999999994 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.39 135.51 75.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 50.100000000000001 108.262 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.24 9.13 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.51 1.795 . . . . 63.240000000000002 111.04 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 9' ' ' CYS . 24.7 t -99.45 -59.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 71.420000000000002 109.236 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -70.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 63.240000000000002 108.314 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.72 47.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 43.119999999999997 111.029 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -91.61 159.04 39.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 65.430000000000007 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -178.71 4.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 74.340000000000003 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -92.91 24.23 3.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 72.25 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -100.39 -11.96 19.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 63.32 110.008 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 11.0 pt-20 -107.35 -27.46 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 50.450000000000003 110.217 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.26 118.68 8.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 74.230000000000004 110.936 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 52' ' ' ALA . 1.4 pp20? -90.01 172.72 8.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 62.539999999999999 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.53 117.72 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 50.439999999999998 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 71.510000000000005 109.289 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 50.7 tttt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.34 -0.615 . . . . 63.039999999999999 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 50.5 m-85 -155.13 123.07 5.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.192 . . . . 73.430000000000007 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -80.2 -179.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 61.210000000000001 109.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.14 136.04 50.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 62.020000000000003 108.288 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 p -91.77 29.47 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 110.413 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.75 -54.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 54.149999999999999 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.53 -38.88 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.019999999999996 108.258 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.37 19.86 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 51.329999999999998 110.975 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 22.6 t80 -59.25 171.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 0.801 . . . . 75.230000000000004 111.022 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.592 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.4 pt-20 -127.13 117.97 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.430000000000007 110.275 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.82 ' OH ' HD11 ' A' ' 33' ' ' LEU . 45.4 t80 -94.14 132.71 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 75.299999999999997 111.016 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -121.89 97.71 45.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 63.109999999999999 109.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 45.119999999999997 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.17 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 45.420000000000002 109.305 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -92.09 -24.64 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.263 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.41 -145.0 17.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 41.43 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.4 t0 178.47 84.74 0.15 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 73.209999999999994 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 72.310000000000002 111.009 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -52.41 -24.7 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.25 109.312 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.88 ' OD1' HG23 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -123.03 -51.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 53.240000000000002 109.274 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.79 47.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.88 HG23 ' OD1' ' A' ' 22' ' ' ASN . 87.7 t -96.77 167.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 52.43 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -112.85 154.29 44.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.230000000000004 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 72.540000000000006 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.81 54.47 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 73.450000000000003 111.046 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 m -133.67 89.45 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 62.219999999999999 110.357 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -40.02 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 71.430000000000007 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 28.6 t80 -73.6 -14.83 61.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.5 110.988 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.39 -18.79 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.4 -22.3 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.24 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.82 HD11 ' OH ' ' A' ' 13' ' ' TYR . 13.1 mt -44.19 157.57 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.540000000000006 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 73.109999999999999 110.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.02 -19.33 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 70.230000000000004 109.338 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.31 23.98 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.239999999999995 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -91.75 147.14 23.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.995 -1.113 . . . . 74.109999999999999 107.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -144.6 171.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 109.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.61 135.47 71.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 50.100000000000001 108.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.43 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 63.240000000000002 110.987 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 11' ' ' TYR . 72.6 t -100.59 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 71.420000000000002 109.285 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -73.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 108.233 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.94 56.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 43.119999999999997 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.74 157.0 38.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 65.430000000000007 109.262 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.8 40.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 74.340000000000003 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.4 mtmp? -66.79 -17.16 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.25 109.367 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 t -63.32 -15.48 57.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 63.32 110.012 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -103.18 -35.88 8.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 50.450000000000003 110.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 9.8 m-85 -53.03 134.43 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.230000000000004 111.012 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -108.77 147.76 31.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 62.539999999999999 110.368 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.95 115.74 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 50.439999999999998 109.314 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 71.510000000000005 109.226 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 63.039999999999999 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 58.3 m-85 -126.4 178.69 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 73.430000000000007 111.027 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.529 HG23 ' CA ' ' A' ' 12' ' ' GLU . 8.7 p -160.47 144.69 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 61.210000000000001 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.64 151.4 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 62.020000000000003 108.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.419 HG22 ' OE1' ' A' ' 50' ' ' GLU . 57.4 p -114.02 -16.69 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -78.63 -49.76 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 54.149999999999999 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.508 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 11.7 p -97.82 -47.42 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.019999999999996 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.37 47.16 1.45 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 51.329999999999998 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CB ' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 -117.84 131.7 56.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 75.230000000000004 110.984 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.529 ' CA ' HG23 ' A' ' 5' ' ' VAL . 6.1 pt-20 -90.98 131.53 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 70.430000000000007 110.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -91.38 143.79 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 75.299999999999997 111.065 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -116.65 99.4 52.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.265 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 45.119999999999997 111.043 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.15 93.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 45.420000000000002 109.347 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -91.43 -13.73 31.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.49 -146.42 40.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 41.43 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -170.86 96.63 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 73.209999999999994 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 72.310000000000002 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -69.26 -52.34 28.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.453 1.096 . . . . 74.25 109.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -86.31 -18.87 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 53.240000000000002 109.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.39 10.64 19.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 111.001 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.62 95.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 52.43 109.277 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 154.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.230000000000004 109.371 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 97.08 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 72.540000000000006 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.37 45.65 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 73.450000000000003 111.04 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -124.13 85.8 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 62.219999999999999 110.404 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.9 m -49.47 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 110.067 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HA ' HD12 ' A' ' 33' ' ' LEU . 20.9 t80 -63.63 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.5 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.22 -16.69 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -94.01 -19.7 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 74.140000000000001 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 30' ' ' PHE . 32.5 mt -52.21 157.69 2.18 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.527 1.142 . . . . 74.540000000000006 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.16 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 73.109999999999999 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.71 -26.85 13.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.230000000000004 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -94.93 31.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 71.239999999999995 109.306 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -88.42 154.54 20.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 74.109999999999999 107.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.19 164.75 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 72.209999999999994 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.1 135.36 96.29 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 50.100000000000001 108.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.11 17.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.641 1.864 . . . . 63.240000000000002 111.031 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 11' ' ' TYR . 67.5 t -92.22 -59.54 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -74.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 63.240000000000002 108.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.4 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.416 1.072 . . . . 43.119999999999997 111.027 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.47 ' HB1' ' HG2' ' A' ' 48' ' ' GLU . . . -93.23 159.98 34.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 65.430000000000007 109.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.24 3.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 74.340000000000003 111.032 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.5 mtmp? -93.11 26.33 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 72.25 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -107.4 -12.1 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' OE1' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -105.81 -10.06 16.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 50.450000000000003 110.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CD1' ' OE1' ' A' ' 48' ' ' GLU . 13.3 m-85 -79.14 132.1 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 7' ' ' THR . 4.8 pt-20 -112.61 147.81 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 62.539999999999999 110.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.35 114.12 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 50.439999999999998 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 71.510000000000005 109.311 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.285 -0.635 . . . . 63.039999999999999 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.778 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 46.1 m-85 -141.57 165.26 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 73.430000000000007 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.81 140.13 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 61.210000000000001 109.264 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -73.72 128.92 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 62.020000000000003 108.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 110.421 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -117.62 -46.99 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 54.149999999999999 109.233 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.96 -64.27 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 71.019999999999996 108.245 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.06 71.2 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 51.329999999999998 110.988 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 30.2 t80 -97.39 175.09 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 75.230000000000004 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 3.3 pt-20 -133.61 62.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 70.430000000000007 110.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' OH ' HD11 ' A' ' 33' ' ' LEU . 74.3 t80 -58.57 132.97 55.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 111.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -125.49 98.33 35.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 63.109999999999999 109.299 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 45.119999999999997 111.065 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.93 -22.73 45.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 45.420000000000002 109.298 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.89 -6.84 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.430000000000007 110.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.53 -151.13 20.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.586 1.179 . . . . 41.43 110.986 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.62 98.69 2.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 73.209999999999994 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -7.09 18.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 72.310000000000002 110.948 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.23 -30.6 43.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 74.25 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.16 173.16 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 53.240000000000002 109.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.86 58.43 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 111.037 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 t -116.99 143.95 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 52.43 109.313 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -84.97 157.58 59.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 109.344 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 106.3 2.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.759 . . . . 72.540000000000006 111.082 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.57 65.92 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 111.003 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -139.33 120.47 14.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 0.736 . . . . 62.219999999999999 110.416 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -67.16 148.81 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 71.430000000000007 110.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 11.2 t80 -55.51 -33.23 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 71.5 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -73.75 -21.04 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.209999999999994 109.335 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -95.47 27.52 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD11 ' OH ' ' A' ' 13' ' ' TYR . 43.9 mt -96.25 156.99 36.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.540000000000006 109.343 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.61 26.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 73.109999999999999 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.88 8.77 33.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 70.230000000000004 109.262 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.18 21.93 10.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 71.239999999999995 109.32 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -95.31 153.17 17.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 108.034 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -145.02 -177.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 72.209999999999994 109.333 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.61 135.54 78.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 50.100000000000001 108.22 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -0.23 9.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 63.240000000000002 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.87 -60.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.420000000000002 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 -66.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 63.240000000000002 108.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.17 54.66 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 43.119999999999997 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.82 165.65 12.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 65.430000000000007 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -74.98 170.38 20.55 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.807 . . . . 74.340000000000003 111.022 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -64.79 -16.47 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.25 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -18.29 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 63.32 109.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.02 32.56 5.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 50.450000000000003 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -132.43 116.07 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.230000000000004 111.049 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -114.81 167.62 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 62.539999999999999 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.0 128.76 34.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 50.439999999999998 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 71.510000000000005 109.338 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.278 -0.638 . . . . 63.039999999999999 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 69.5 m-85 -140.33 166.85 23.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 73.430000000000007 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.52 146.16 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 61.210000000000001 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.77 131.6 35.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.020000000000003 108.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -87.62 6.68 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 74.439999999999998 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -100.27 -43.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 54.149999999999999 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.51 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -107.97 -55.09 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 71.019999999999996 108.27 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.36 3.09 10.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.131 . . . . 51.329999999999998 110.996 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.66 147.42 52.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 75.230000000000004 110.958 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.88 126.85 53.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 70.430000000000007 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 20.4 t80 -92.63 129.71 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -109.98 100.3 42.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 63.109999999999999 109.269 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.0 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 45.119999999999997 111.029 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.58 -44.91 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 45.420000000000002 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.9 pm0 -112.91 -15.21 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.79 -125.57 8.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 41.43 111.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.95 99.05 0.74 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.753 . . . . 73.209999999999994 109.281 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.77 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 72.310000000000002 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.04 -53.86 29.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 74.25 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -79.8 -55.37 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 53.240000000000002 109.317 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.01 71.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 71.439999999999998 111.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.73 136.43 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 52.43 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -49.26 155.34 1.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.244 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.01 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 72.540000000000006 111.003 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.87 71.27 0.4 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 73.450000000000003 111.029 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -132.56 100.11 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 0.722 . . . . 62.219999999999999 110.383 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -55.36 158.78 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 71.430000000000007 110.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 23.9 t80 -60.73 -27.22 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.5 111.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.12 -18.48 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 74.209999999999994 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -22.53 23.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 74.140000000000001 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.85 158.81 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 109.288 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 178.4 7.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.451 1.764 . . . . 73.109999999999999 111.022 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.27 8.63 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 109.277 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -122.66 18.68 10.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 71.239999999999995 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -86.46 151.37 23.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.997 -1.112 . . . . 74.109999999999999 107.997 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.77 168.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 72.209999999999994 109.28 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.43 135.57 96.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 50.100000000000001 108.296 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 63.240000000000002 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' SG ' ' A' ' 9' ' ' CYS . 39.1 t -99.38 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.3 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -71.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.158 . . . . 63.240000000000002 108.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.33 45.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.09 . . . . 43.119999999999997 111.006 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -93.56 165.73 17.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 65.430000000000007 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.7 Cg_endo -74.96 -179.26 4.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.340000000000003 111.049 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -90.35 16.0 9.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 72.25 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -96.28 -9.62 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.32 110.003 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' THR . 11.3 mm-40 -107.05 -2.06 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 50.450000000000003 110.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.48 125.59 37.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 74.230000000000004 110.95 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -108.64 154.81 21.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 62.539999999999999 110.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.24 119.29 13.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 50.439999999999998 109.349 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 71.510000000000005 109.317 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.36 -0.607 . . . . 63.039999999999999 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 59.1 m-85 -104.83 146.27 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 61.210000000000001 109.254 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.68 163.24 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 62.020000000000003 108.327 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -124.22 18.79 9.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.03 -47.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 54.149999999999999 109.346 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.14 -45.07 4.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 71.019999999999996 108.259 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 3.02 23.68 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.482 1.114 . . . . 51.329999999999998 111.002 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CB ' HG21 ' A' ' 41' ' ' VAL . 12.6 t80 -69.33 141.69 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 75.230000000000004 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 141.73 33.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 70.430000000000007 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 88.1 t80 -94.95 128.53 41.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 111.052 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.97 100.32 42.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 63.109999999999999 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -11.68 21.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 45.119999999999997 110.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.89 90.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 45.420000000000002 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -105.11 -3.24 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -125.57 9.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 41.43 110.962 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' CE1' ' A' ' 13' ' ' TYR . 5.4 m-20 178.87 99.86 0.16 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 73.209999999999994 109.273 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -9.83 20.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 72.310000000000002 111.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.94 -31.41 68.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 74.25 109.36 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -109.98 -24.45 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 53.240000000000002 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.52 1.17 26.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 71.439999999999998 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.91 142.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 52.43 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -77.02 157.23 81.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.228 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.95 14.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.418 1.746 . . . . 72.540000000000006 111.05 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.94 41.16 2.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 73.450000000000003 111.032 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -121.82 87.85 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 62.219999999999999 110.379 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -47.33 157.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 71.430000000000007 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 14.0 t80 -67.25 -19.32 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 71.5 111.04 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.25 -19.35 26.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 74.209999999999994 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.62 -16.12 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 74.140000000000001 109.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 33' ' ' LEU . 15.9 mt -49.88 157.73 1.01 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.343 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 73.109999999999999 110.96 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.3 8.64 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 70.230000000000004 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.56 16.33 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 71.239999999999995 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -78.08 148.59 34.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 108.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.32 161.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 72.209999999999994 109.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.37 135.42 76.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 50.100000000000001 108.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.12 9.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 63.240000000000002 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.2 t -100.69 -58.96 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 71.420000000000002 109.279 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 -72.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 63.240000000000002 108.287 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.02 48.78 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 43.119999999999997 111.045 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.73 155.61 39.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 65.430000000000007 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 164.86 32.59 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.792 . . . . 74.340000000000003 111.033 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -69.15 -16.8 63.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 72.25 109.229 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -64.15 -12.4 39.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 63.32 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.49 -31.12 9.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 50.450000000000003 110.275 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.31 132.87 50.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.087 . . . . 74.230000000000004 111.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.0 158.04 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 62.539999999999999 110.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 112.6 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 50.439999999999998 109.335 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 71.510000000000005 109.364 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HZ1' ' HG3' ' A' ' 12' ' ' GLU . 42.4 tttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 63.039999999999999 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.442 ' CG ' ' CE2' ' A' ' 30' ' ' PHE . 20.9 m-85 -132.1 163.76 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 111.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.53 147.62 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 61.210000000000001 109.346 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -83.08 120.24 25.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 62.020000000000003 108.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -83.97 7.75 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 74.439999999999998 110.42 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -93.98 -50.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 54.149999999999999 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -107.93 -48.81 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 71.019999999999996 108.285 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.38 0.35 9.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 51.329999999999998 110.994 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' HG21 ' A' ' 41' ' ' VAL . 35.8 t80 -70.54 127.44 32.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 0.788 . . . . 75.230000000000004 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' HG3' ' HZ1' ' A' ' 3' ' ' LYS . 11.2 pt-20 -87.67 125.82 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 70.430000000000007 110.238 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' OH ' HD21 ' A' ' 33' ' ' LEU . 19.3 t80 -81.26 132.86 35.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.608 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 23.1 t0 -111.75 99.96 46.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 63.109999999999999 109.264 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.4 Cg_endo -74.93 -3.67 14.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 45.119999999999997 111.051 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -78.46 -16.99 56.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 45.420000000000002 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -122.93 2.42 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 74.430000000000007 110.29 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.07 -124.17 31.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 41.43 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -167.14 99.91 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 73.209999999999994 109.254 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.35 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 72.310000000000002 111.049 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.26 -29.02 24.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.25 109.275 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -118.29 -175.94 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 53.240000000000002 109.271 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.87 72.2 2.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.84 149.35 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 52.43 109.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.52 156.16 37.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.231 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 88.34 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 72.540000000000006 111.024 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.31 66.25 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 73.450000000000003 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 32' ' ' ASP . 1.6 m -136.64 109.72 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 0.729 . . . . 62.219999999999999 110.394 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 p -54.36 157.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 71.430000000000007 109.997 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' ' CG ' ' A' ' 4' ' ' TYR . 16.6 t80 -62.37 -35.14 78.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 71.5 111.015 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.93 -18.13 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.209999999999994 109.256 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' THR . 11.9 t70 -84.27 -18.49 36.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 109.268 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' OH ' ' A' ' 13' ' ' TYR . 93.1 mt -55.97 156.48 9.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 109.264 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.16 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 73.109999999999999 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 8.56 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.052 . . . . 70.230000000000004 109.33 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.66 29.12 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 71.239999999999995 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -90.4 154.34 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 74.109999999999999 108.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.41 -179.22 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 72.209999999999994 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -78.68 135.5 60.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 50.100000000000001 108.315 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 63.240000000000002 111.044 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 11' ' ' TYR . 57.3 t -97.6 -59.56 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 71.420000000000002 109.247 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -71.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 63.240000000000002 108.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 56.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 43.119999999999997 111.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.748 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.77 156.68 38.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 65.430000000000007 109.304 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.08 25.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 74.340000000000003 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -58.91 -20.24 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 72.25 109.338 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.8 p -54.27 -22.38 11.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 63.32 110.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.748 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 1.6 mm-40 -96.66 -29.08 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 50.450000000000003 110.307 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -75.21 130.91 39.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 111.016 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 2.9 mm-40 -121.6 -178.62 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 62.539999999999999 110.323 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.16 123.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 50.439999999999998 109.388 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 71.510000000000005 109.334 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 mttp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.335 -0.617 . . . . 63.039999999999999 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 51.7 m-85 -148.66 128.37 13.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 73.430000000000007 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -103.73 126.95 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 61.210000000000001 109.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.83 161.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 62.020000000000003 108.322 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -116.66 2.44 12.97 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 74.439999999999998 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -99.66 -49.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.149999999999999 109.372 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.548 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.6 p -113.31 -61.98 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 71.019999999999996 108.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.66 72.66 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 51.329999999999998 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 41' ' ' VAL . 5.6 t80 -118.84 108.07 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 75.230000000000004 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' TYR . 2.7 pt-20 -73.39 65.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 70.430000000000007 110.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 73.5 t80 -37.61 138.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 111.029 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 20.7 t70 -111.8 102.66 54.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 63.109999999999999 109.244 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.26 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.541 1.811 . . . . 45.119999999999997 110.997 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -80.79 -27.7 36.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 45.420000000000002 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 9.8 pt-20 -126.98 9.07 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 110.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.09 -121.71 26.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.441 1.088 . . . . 41.43 110.972 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -147.47 100.05 3.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 73.209999999999994 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.48 16.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 72.310000000000002 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.66 -39.05 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 74.25 109.258 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -114.01 -176.83 2.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 53.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.36 70.05 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 71.439999999999998 111.034 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -135.41 139.35 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 52.43 109.304 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -91.61 156.84 42.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 74.230000000000004 109.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 -7.1 18.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 72.540000000000006 111.101 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.15 37.32 3.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 73.450000000000003 111.008 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -135.84 117.46 14.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 62.219999999999999 110.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -81.86 176.52 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 71.430000000000007 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 29.4 t80 -72.28 -27.06 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 71.5 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.05 -22.33 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 109.278 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -88.53 -20.29 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.140000000000001 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.5 mt -48.24 154.94 0.98 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.182 . . . . 74.540000000000006 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.109999999999999 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.7 -14.73 14.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 70.230000000000004 109.318 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -102.01 28.97 5.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 71.239999999999995 109.259 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 38' ' ' VAL . 82.4 t90 -90.15 163.57 14.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 74.109999999999999 108.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 37' ' ' TRP . 27.1 m -157.35 163.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 72.209999999999994 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.35 135.23 93.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 50.100000000000001 108.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.95 -6.62 18.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 63.240000000000002 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG11 ' SG ' ' A' ' 9' ' ' CYS . 44.8 t -91.22 -58.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 71.420000000000002 109.297 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.86 -70.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 63.240000000000002 108.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.02 54.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 43.119999999999997 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -107.45 168.8 7.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.588 0.816 . . . . 65.430000000000007 109.255 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 172.59 16.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 74.340000000000003 111.018 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -64.75 -15.82 62.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 72.25 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -62.6 -15.65 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.32 109.948 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 7' ' ' THR . 16.0 mm-40 -107.69 24.11 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 50.450000000000003 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.68 115.88 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -104.89 160.18 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 62.539999999999999 110.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.19 132.94 34.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 50.439999999999998 109.263 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 71.510000000000005 109.366 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.597 ' C ' ' HB2' ' A' ' 52' ' ' ALA . 5.9 mtmp? . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.314 -0.624 . . . . 63.039999999999999 109.314 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.627 ' N ' ' HB2' ' A' ' 52' ' ' ALA . 19.4 m-85 -155.07 147.75 24.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 51' ' ' ALA . 14.7 p -109.07 147.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 61.210000000000001 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.71 124.7 37.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 62.020000000000003 108.292 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -76.64 -2.29 32.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 74.439999999999998 110.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.47 -44.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 54.149999999999999 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -107.57 -59.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 71.019999999999996 108.334 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.76 11.75 9.09 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.477 1.111 . . . . 51.329999999999998 111.018 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.26 151.93 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 75.230000000000004 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.48 122.1 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 70.430000000000007 110.305 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -91.96 114.0 26.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 75.299999999999997 111.021 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.07 100.09 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 63.109999999999999 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 45.119999999999997 111.003 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.06 -22.92 65.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 45.420000000000002 109.234 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.16 -29.09 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.430000000000007 110.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.14 -174.82 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 41.43 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.99 97.44 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 73.209999999999994 109.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.89 19.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 72.310000000000002 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.88 -28.58 66.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 74.25 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -110.25 -22.65 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.240000000000002 109.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.86 13.96 14.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 71.439999999999998 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.43 157.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 52.43 109.264 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -94.46 162.28 26.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.230000000000004 109.216 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.02 10.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 72.540000000000006 111.024 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 50.41 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -127.21 107.2 9.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 62.219999999999999 110.382 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -66.95 153.23 44.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.430000000000007 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 6.7 t80 -61.14 -26.91 68.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 71.5 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.25 -14.46 59.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.29 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -103.71 20.43 18.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 13' ' ' TYR . 19.5 mt -83.59 155.36 65.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.540000000000006 109.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.537 1.809 . . . . 73.109999999999999 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.87 8.59 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 70.230000000000004 109.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -125.26 26.8 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 71.239999999999995 109.294 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.427 ' C ' HG13 ' A' ' 38' ' ' VAL . 67.4 t90 -79.61 156.87 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 74.109999999999999 107.993 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 37' ' ' TRP . 18.9 m -152.19 146.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.209999999999994 109.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.6 t -50.9 135.51 27.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 50.100000000000001 108.262 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -0.29 9.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.240000000000002 111.04 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 9' ' ' CYS . 94.4 t -96.39 -61.68 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 71.420000000000002 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.76 -63.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 108.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.95 48.71 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 43.119999999999997 110.929 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -102.16 154.87 37.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 65.430000000000007 109.284 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.41 6.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.782 . . . . 74.340000000000003 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -14.82 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 72.25 109.31 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -52.49 -21.26 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 63.32 110.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.467 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 19.7 mm-40 -91.88 -71.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 50.450000000000003 110.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -39.37 136.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 15.1 pt-20 -119.44 -52.46 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.539999999999999 110.231 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.947 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -171.14 169.08 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 50.439999999999998 109.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' N ' ' A' ' 4' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 71.510000000000005 109.374 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' ALA . 68.6 mttt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.272 -0.64 . . . . 63.039999999999999 109.272 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.696 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 50.0 m-85 -140.17 122.58 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 110.994 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.29 146.46 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 61.210000000000001 109.336 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.27 119.39 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 62.020000000000003 108.26 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -96.9 35.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.057 . . . . 74.439999999999998 110.439 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -127.62 -48.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 54.149999999999999 109.328 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.491 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 21.5 p -106.97 -49.4 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 71.019999999999996 108.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 63.19 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 51.329999999999998 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.69 ' HB2' HG21 ' A' ' 41' ' ' VAL . 27.3 t80 -128.88 153.73 47.19 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 0.784 . . . . 75.230000000000004 110.998 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.63 128.67 55.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 70.430000000000007 110.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -101.42 132.76 46.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.963 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 6.3 t70 -109.94 100.3 42.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 63.109999999999999 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.584 1.834 . . . . 45.119999999999997 110.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -79.88 -28.98 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 45.420000000000002 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 9.8 pt-20 -111.56 -22.51 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 -127.25 9.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 41.43 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -166.77 99.58 0.67 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 73.209999999999994 109.3 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.548 1.815 . . . . 72.310000000000002 110.958 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -77.34 -28.7 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 74.25 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -124.03 -176.94 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 53.240000000000002 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.09 67.25 2.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.2 t -125.4 169.31 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 52.43 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -128.83 158.28 72.88 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 109.341 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 -6.75 18.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 72.540000000000006 111.021 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.72 48.53 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 73.450000000000003 110.984 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -141.55 138.92 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 62.219999999999999 110.409 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -92.66 166.31 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 71.430000000000007 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 12.4 t80 -72.66 -31.63 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.5 110.977 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.08 -18.56 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 74.209999999999994 109.3 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -88.02 -23.75 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 74.140000000000001 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -41.77 155.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.540000000000006 109.305 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.821 . . . . 73.109999999999999 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.94 8.54 22.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 70.230000000000004 109.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -119.89 19.12 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.326 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' C ' HG13 ' A' ' 38' ' ' VAL . 85.2 t90 -89.22 156.94 18.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.975 -1.121 . . . . 74.109999999999999 107.975 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 37' ' ' TRP . 16.3 m -152.95 166.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 72.209999999999994 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.51 135.54 85.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 50.100000000000001 108.282 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.94 -0.81 10.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 63.240000000000002 111.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 11' ' ' TYR . 34.6 t -97.85 -58.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 71.420000000000002 109.249 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.89 -71.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.240000000000002 108.239 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.04 47.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 43.119999999999997 110.993 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -89.1 166.71 20.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 0.731 . . . . 65.430000000000007 109.343 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.08 153.26 41.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 74.340000000000003 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -63.65 -14.51 52.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 72.25 109.305 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -76.88 -10.73 59.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 63.32 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -105.35 14.82 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 50.450000000000003 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -105.75 102.22 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 74.230000000000004 111.078 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.17 118.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.539999999999999 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.19 99.46 7.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 50.439999999999998 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB3' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 71.510000000000005 109.283 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 6.8 mtpm? . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.27 -0.641 . . . . 63.039999999999999 109.27 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 61.1 m-85 -152.79 156.12 38.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 73.430000000000007 111.003 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.47 148.25 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 61.210000000000001 109.354 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.19 141.56 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 62.020000000000003 108.349 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.2 p -93.99 2.31 56.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 74.439999999999998 110.43 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -101.09 -44.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 54.149999999999999 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.549 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.7 m -100.69 -58.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 71.019999999999996 108.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.01 8.49 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 51.329999999999998 111.01 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 14.0 t80 -82.85 155.63 24.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 75.230000000000004 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 7.1 pt-20 -113.04 136.49 52.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.38 140.35 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 110.991 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -110.2 100.07 42.53 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 63.109999999999999 109.324 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.92 19.6 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 45.119999999999997 111.051 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.46 -49.81 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 45.420000000000002 109.333 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.44 12.62 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.25 -130.35 50.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 41.43 111.057 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 34.4 t70 -166.21 102.71 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 73.209999999999994 109.295 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.92 20.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 72.310000000000002 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.4 -38.25 83.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 74.25 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 24' ' ' VAL . 22.2 p30 -116.87 -175.18 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 53.240000000000002 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.53 66.3 3.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 71.439999999999998 111.075 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 22' ' ' ASN . 37.9 t -112.42 106.5 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 52.43 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 154.71 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.230000000000004 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 97.04 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 72.540000000000006 110.983 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 75.83 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.123 . . . . 73.450000000000003 110.918 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -142.5 97.78 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 62.219999999999999 110.377 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -57.96 169.17 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 71.430000000000007 109.977 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 50.9 t80 -69.66 -31.04 68.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 71.5 111.043 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.44 -16.27 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.209999999999994 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.19 -23.32 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 74.140000000000001 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 30' ' ' PHE . 17.1 mt -43.99 158.55 0.26 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 74.540000000000006 109.329 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.449 1.762 . . . . 73.109999999999999 110.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 8.72 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 70.230000000000004 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.36 23.96 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 71.239999999999995 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -88.44 141.42 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.109999999999999 108.024 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.99 154.85 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.29 135.44 5.45 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 50.100000000000001 108.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -0.17 9.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 63.240000000000002 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.549 HG11 ' SG ' ' A' ' 9' ' ' CYS . 99.6 t -97.79 -61.97 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 71.420000000000002 109.276 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.88 -68.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 63.240000000000002 108.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.48 60.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 43.119999999999997 111.003 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -103.01 164.73 14.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 65.430000000000007 109.268 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.06 156.84 42.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.812 . . . . 74.340000000000003 111.036 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -65.1 -16.11 63.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 72.25 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -65.91 -19.34 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 63.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.56 -33.2 16.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 50.450000000000003 110.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.16 134.24 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 111.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -112.44 155.83 23.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 62.539999999999999 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.19 105.12 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 50.439999999999998 109.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.510000000000005 109.368 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.285 -0.635 . . . . 63.039999999999999 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -115.39 157.53 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 73.430000000000007 110.935 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.52 159.26 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 61.210000000000001 109.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 t -92.29 121.4 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 62.020000000000003 108.239 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 p -75.69 -2.34 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.62 -51.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 54.149999999999999 109.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.4 -58.66 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 71.019999999999996 108.358 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.76 13.83 9.13 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 51.329999999999998 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.73 126.74 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.746 . . . . 75.230000000000004 110.982 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.5 136.06 36.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 110.33 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.677 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 59.6 t80 -91.82 124.98 36.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 75.299999999999997 110.947 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 10.3 t70 -105.23 105.36 51.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 63.109999999999999 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -25.53 11.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 45.119999999999997 110.941 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -44.69 -35.86 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 45.420000000000002 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.75 -28.97 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.430000000000007 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.87 -134.64 12.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 41.43 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -174.78 82.2 0.33 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.209999999999994 109.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -18.69 18.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 72.310000000000002 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.22 -49.51 60.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 74.25 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -85.14 -68.75 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 53.240000000000002 109.34 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.48 68.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 71.439999999999998 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.36 160.34 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 52.43 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -92.78 157.24 39.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.230000000000004 109.295 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 72.540000000000006 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.87 61.54 0.62 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.506 1.129 . . . . 73.450000000000003 111.024 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -146.62 107.33 4.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 62.219999999999999 110.42 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -66.96 167.67 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 71.430000000000007 110.058 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 11.7 t80 -60.18 -29.74 68.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 71.5 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -76.01 -17.42 59.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 74.209999999999994 109.303 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.2 18.42 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.140000000000001 109.309 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 25.8 mt -87.34 156.63 53.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.540000000000006 109.357 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.788 . . . . 73.109999999999999 111.007 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.33 37.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 70.230000000000004 109.29 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -96.33 23.34 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.239999999999995 109.317 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -89.58 134.31 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 74.109999999999999 108.047 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.82 147.8 33.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 109.276 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.9 t -45.1 135.57 5.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 50.100000000000001 108.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.11 9.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 63.240000000000002 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.64 -63.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.111 . . . . 71.420000000000002 109.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 p -106.8 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 63.240000000000002 108.361 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.31 48.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 43.119999999999997 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.57 159.29 35.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.813 . . . . 65.430000000000007 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 74.340000000000003 111.035 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 53.6 mtmt -69.05 -19.86 64.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 72.25 109.357 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -65.45 -20.21 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 63.32 110.03 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -97.6 4.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 50.450000000000003 110.246 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -107.48 110.48 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -92.31 153.42 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 62.539999999999999 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 119.72 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 50.439999999999998 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 71.510000000000005 109.346 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.305 -0.628 . . . . 63.039999999999999 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.7 158.55 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 73.430000000000007 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.29 142.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 61.210000000000001 109.275 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 8.1 t -77.77 121.68 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 62.020000000000003 108.317 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -75.9 -1.04 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 110.411 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.22 -44.11 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.149999999999999 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.08 -56.48 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 71.019999999999996 108.338 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 114.31 13.42 9.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.12 . . . . 51.329999999999998 111.02 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -81.83 139.36 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 75.230000000000004 111.035 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.94 119.97 33.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 70.430000000000007 110.298 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.0 t80 -74.43 120.72 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.993 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.52 104.28 49.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 63.109999999999999 109.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 45.119999999999997 110.954 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.43 -28.24 23.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 45.420000000000002 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.6 pt-20 -101.87 -31.01 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 110.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.74 -163.91 46.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 41.43 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -158.14 92.37 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 73.209999999999994 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 72.310000000000002 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -63.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.25 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.908 ' OD1' HG23 ' A' ' 24' ' ' VAL . 11.4 p30 -75.1 -34.73 61.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 53.240000000000002 109.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 126.81 65.85 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 22' ' ' ASN . 88.1 t -129.71 166.5 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 52.43 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 24' ' ' VAL . 4.5 mptt -94.49 157.8 36.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 74.230000000000004 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.95 0.17 9.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 72.540000000000006 110.98 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.7 68.19 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.144 . . . . 73.450000000000003 111.06 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -130.85 111.52 12.18 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 0.71 . . . . 62.219999999999999 110.406 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -66.44 150.4 48.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 71.430000000000007 109.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.31 -20.42 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 71.5 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.18 -18.43 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.209999999999994 109.234 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.51 15.83 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 74.140000000000001 109.335 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.61 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 32.5 mt -86.72 154.99 56.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 74.540000000000006 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 167.25 27.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 73.109999999999999 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 8.59 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 70.230000000000004 109.237 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.17 29.85 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 71.239999999999995 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -79.95 147.45 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.109999999999999 107.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.0 m -135.75 149.54 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 72.209999999999994 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -54.9 135.55 66.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 50.100000000000001 108.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.485 1.782 . . . . 63.240000000000002 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -96.58 -61.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 71.420000000000002 109.298 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 p -106.3 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 63.240000000000002 108.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.74 51.73 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 43.119999999999997 111.053 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.98 154.55 41.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 65.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 74.340000000000003 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -63.46 -14.14 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 72.25 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 m -61.88 -13.99 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.32 110.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.586 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 3.7 mm-40 -116.62 18.56 14.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 50.450000000000003 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -123.24 114.92 20.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 111.04 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -105.93 142.6 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 62.539999999999999 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.66 108.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 50.439999999999998 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.510000000000005 109.291 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.315 -0.624 . . . . 63.039999999999999 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 54.2 m-85 -148.74 144.6 27.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 110.935 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 12' ' ' GLU . 12.0 p -124.2 152.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 61.210000000000001 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 3.9 t -92.26 96.36 10.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 62.020000000000003 108.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.692 HG21 ' OE2' ' A' ' 50' ' ' GLU . 1.4 t -65.93 -11.55 48.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.339 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.98 -55.85 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 54.149999999999999 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.85 -55.61 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.019999999999996 108.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 133.87 -9.21 4.86 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.467 1.104 . . . . 51.329999999999998 110.982 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 53.0 t80 -61.32 145.43 51.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 75.230000000000004 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 5' ' ' VAL . 24.7 mt-10 -111.1 139.49 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.430000000000007 110.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -110.43 146.32 36.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.998 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -132.96 130.82 21.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.109999999999999 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.54 1.811 . . . . 45.119999999999997 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.9 -50.53 11.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 45.420000000000002 109.36 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 18.4 pt-20 -85.26 -39.76 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 110.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 89.21 -134.8 12.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.138 . . . . 41.43 111.066 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 177.65 90.03 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 0.808 . . . . 73.209999999999994 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -10.17 21.28 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 72.310000000000002 111.047 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -40.52 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.25 109.263 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -96.43 -75.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 53.240000000000002 109.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.6 40.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 71.439999999999998 110.97 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 25' ' ' LYS . 23.3 t -97.42 169.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.769 . . . . 52.43 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.29 155.49 53.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 72.540000000000006 111.021 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.31 70.62 0.63 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 73.450000000000003 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -147.95 109.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 62.219999999999999 110.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.8 p -44.86 145.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.430000000000007 110.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 19.0 t80 -62.49 -24.01 67.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 71.5 110.97 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.15 -16.81 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 74.209999999999994 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.15 20.88 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 109.326 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -92.81 156.29 40.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.540000000000006 109.311 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 73.109999999999999 111.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 -18.27 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 70.230000000000004 109.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.78 24.32 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.239999999999995 109.334 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -93.31 140.51 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 74.109999999999999 107.991 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 m -130.84 169.37 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 109.279 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -63.74 135.93 96.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 50.100000000000001 108.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.2 10.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 63.240000000000002 111.03 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 89.4 t -99.32 -56.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 71.420000000000002 109.233 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.9 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 63.240000000000002 108.261 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.93 47.61 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 43.119999999999997 111.012 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -95.58 165.56 16.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 65.430000000000007 109.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 164.82 32.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 74.340000000000003 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -64.25 -15.77 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 72.25 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -66.37 -12.65 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.32 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 7' ' ' THR . 20.7 mm-40 -102.39 3.42 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 50.450000000000003 110.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.26 103.69 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.692 ' OE2' HG21 ' A' ' 7' ' ' THR . 1.2 mp0 -86.24 159.69 19.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 62.539999999999999 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.86 131.17 34.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 50.439999999999998 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 71.510000000000005 109.302 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.542 ' HZ3' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.347 -0.612 . . . . 63.039999999999999 109.347 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.784 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 25.0 m-85 -122.37 134.64 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG23 ' HG2' ' A' ' 12' ' ' GLU . 9.9 p -125.11 153.49 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 61.210000000000001 109.289 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.6 t -87.16 137.89 31.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 62.020000000000003 108.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 p -99.97 12.49 36.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 74.439999999999998 110.388 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.15 -46.2 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 54.149999999999999 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.68 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.019999999999996 108.273 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.2 0.26 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.444 1.09 . . . . 51.329999999999998 111.051 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.25 123.43 46.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 75.230000000000004 110.996 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 5' ' ' VAL . 3.5 mm-40 -76.95 138.01 39.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 70.430000000000007 110.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 47.9 t80 -96.03 165.79 12.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 75.299999999999997 111.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.727 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.1 t70 -152.5 104.51 2.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 63.109999999999999 109.308 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -5.69 17.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.446 1.761 . . . . 45.119999999999997 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.727 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -74.72 -33.31 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 45.420000000000002 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.94 -28.29 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.319 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.19 -145.33 21.32 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.518 1.136 . . . . 41.43 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -170.75 99.41 0.43 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 0.799 . . . . 73.209999999999994 109.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 72.310000000000002 111.032 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.27 -64.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 74.25 109.242 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -78.14 -68.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 53.240000000000002 109.255 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.7 76.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.04 139.38 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 0.736 . . . . 52.43 109.261 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.99 155.8 72.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 74.230000000000004 109.248 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 85.56 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.526 1.803 . . . . 72.540000000000006 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.98 64.49 0.1 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 73.450000000000003 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 m -134.57 106.81 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 62.219999999999999 110.388 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -51.28 148.56 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 71.430000000000007 110.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.784 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 41.4 t80 -63.39 -32.34 73.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 71.5 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -16.15 59.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 109.258 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -90.58 -24.65 20.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.8 mt -42.97 154.67 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.540000000000006 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.92 21.56 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.458 1.768 . . . . 73.109999999999999 111.051 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.39 9.01 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.230000000000004 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -121.97 21.1 10.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.239999999999995 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.466 ' CD2' HD13 ' A' ' 33' ' ' LEU . 81.6 t90 -91.23 149.92 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 74.109999999999999 107.977 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.72 175.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 72.209999999999994 109.341 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.97 135.54 89.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 50.100000000000001 108.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.09 9.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 63.240000000000002 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -98.22 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 71.420000000000002 109.328 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -111.63 -70.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 63.240000000000002 108.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.68 52.94 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 43.119999999999997 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -101.87 157.52 33.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 65.430000000000007 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.81 15.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 74.340000000000003 111.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 30.8 mtmt -73.11 -15.16 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 72.25 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -65.4 -11.16 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 63.32 110.041 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 9.5 mt-10 -104.56 -25.63 12.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 50.450000000000003 110.263 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.59 123.33 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.230000000000004 111.014 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.75 168.88 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 62.539999999999999 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.76 102.8 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 50.439999999999998 109.357 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 71.510000000000005 109.27 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.27 -0.641 . . . . 63.039999999999999 109.27 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 30' ' ' PHE . 54.7 m-85 -144.45 148.07 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 73.430000000000007 111.011 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.7 p -125.22 142.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 61.210000000000001 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -77.98 147.82 34.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 62.020000000000003 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -107.74 -5.78 17.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 110.415 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -83.8 -63.88 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 54.149999999999999 109.319 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' SG ' HG11 ' A' ' 41' ' ' VAL . 5.1 p -90.05 -41.26 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 71.019999999999996 108.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 14.18 17.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 51.329999999999998 110.948 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 56.6 t80 -75.09 170.17 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 0.707 . . . . 75.230000000000004 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 1.7 pp20? -135.03 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 70.430000000000007 110.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -120.99 146.19 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 111.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -122.88 132.78 24.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.109999999999999 109.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 45.119999999999997 110.987 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.34 45.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 45.420000000000002 109.332 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -84.31 -43.48 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.430000000000007 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.24 -153.62 37.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.439 1.087 . . . . 41.43 110.948 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -155.92 99.19 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 73.209999999999994 109.241 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -40.5 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 72.310000000000002 111.076 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -59.22 -59.07 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 74.25 109.294 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -43.8 -32.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 53.240000000000002 109.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 17.8 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 111.017 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t -101.67 135.15 39.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 52.43 109.371 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.48 155.77 26.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 74.230000000000004 109.324 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.578 1.831 . . . . 72.540000000000006 111.028 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.73 53.9 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 73.450000000000003 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -141.28 138.79 33.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 0.76 . . . . 62.219999999999999 110.435 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 p -94.53 -177.01 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 71.430000000000007 109.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 29.6 t80 -78.22 -24.07 47.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 71.5 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.27 -18.01 47.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 74.209999999999994 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 -17.19 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.327 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 37' ' ' TRP . 22.5 mt -49.9 155.51 1.51 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 109.336 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 147.6 34.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 73.109999999999999 111.024 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -16.66 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.230000000000004 109.197 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -103.45 33.35 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 71.239999999999995 109.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CD1' HD22 ' A' ' 33' ' ' LEU . 77.1 t90 -84.53 143.41 29.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 74.109999999999999 107.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.73 159.44 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 72.209999999999994 109.237 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.53 135.51 96.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 50.100000000000001 108.305 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.58 10.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 63.240000000000002 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.2 t -99.12 -56.18 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 109.313 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -71.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 63.240000000000002 108.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.0 46.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.166 . . . . 43.119999999999997 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.588 ' HB1' ' OE2' ' A' ' 48' ' ' GLU . . . -100.68 154.47 37.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 65.430000000000007 109.318 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.07 11.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 74.340000000000003 110.973 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -15.5 48.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.25 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 t -60.63 -16.13 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 63.32 109.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.588 ' OE2' ' HB1' ' A' ' 44' ' ' ALA . 2.7 mt-10 -115.77 21.49 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 50.450000000000003 110.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -123.99 113.76 18.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 111.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.98 179.62 4.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 62.539999999999999 110.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.88 134.33 34.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 50.439999999999998 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 71.510000000000005 109.277 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.324 -0.621 . . . . 63.039999999999999 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.675 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 92.7 m-85 -126.85 163.75 22.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 111.032 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.66 144.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 61.210000000000001 109.241 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 t -77.3 137.5 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 62.020000000000003 108.292 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -88.74 15.21 8.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 74.439999999999998 110.429 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -117.64 -50.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 54.149999999999999 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.567 ' SG ' HG11 ' A' ' 41' ' ' VAL . 2.1 m -94.93 -55.75 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 71.019999999999996 108.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.13 6.62 22.23 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.479 1.112 . . . . 51.329999999999998 110.982 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -73.58 139.22 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 0.815 . . . . 75.230000000000004 111.017 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -101.68 123.55 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 70.430000000000007 110.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 2.9 t80 -92.79 147.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.299999999999997 110.953 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 11.3 t0 -122.45 132.37 24.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 63.109999999999999 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -34.76 3.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 45.119999999999997 110.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -48.16 -53.93 15.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 45.420000000000002 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.33 -50.65 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 74.430000000000007 110.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.15 -124.02 7.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 41.43 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.13 95.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 73.209999999999994 109.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.573 1.828 . . . . 72.310000000000002 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -72.09 -42.67 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.25 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -84.6 -15.96 43.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 53.240000000000002 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.56 6.8 40.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 111.018 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.15 135.19 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 52.43 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -71.46 156.33 91.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.452 1.764 . . . . 72.540000000000006 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.49 55.78 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.586 1.179 . . . . 73.450000000000003 110.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.1 m -137.26 114.11 10.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 62.219999999999999 110.379 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -71.89 155.76 40.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 71.430000000000007 110.022 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 21.8 t80 -58.75 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 71.5 110.976 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -17.79 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.209999999999994 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -93.58 16.13 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.01 156.99 66.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 74.540000000000006 109.297 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 73.109999999999999 110.963 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.47 -15.25 15.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 70.230000000000004 109.302 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.99 25.58 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 109.26 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.709 ' O ' HG13 ' A' ' 38' ' ' VAL . 84.0 t90 -102.23 162.28 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 74.109999999999999 108.04 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 37' ' ' TRP . 4.0 m -160.08 -173.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 72.209999999999994 109.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -68.06 135.5 91.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 50.100000000000001 108.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -2.33 12.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 63.240000000000002 111.043 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' SG ' ' A' ' 9' ' ' CYS . 46.3 t -94.98 -62.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 71.420000000000002 109.31 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.97 -69.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 63.240000000000002 108.264 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.18 51.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 43.119999999999997 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.51 159.75 33.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 65.430000000000007 109.205 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.74 39.62 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.416 1.745 . . . . 74.340000000000003 110.929 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 23.6 mtmt -63.02 -17.0 61.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 72.25 109.276 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -64.87 -15.6 62.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 63.32 110.026 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -106.25 15.56 26.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 50.450000000000003 110.265 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -115.22 107.8 15.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.6 1.188 . . . . 74.230000000000004 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.39 160.68 14.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 62.539999999999999 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.64 112.99 13.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 50.439999999999998 109.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 71.510000000000005 109.293 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 mptt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.348 -0.612 . . . . 63.039999999999999 109.348 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 26.8 m-85 -110.26 165.69 11.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 73.430000000000007 111.007 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.01 149.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.362 1.039 . . . . 61.210000000000001 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 t -85.65 135.26 33.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 62.020000000000003 108.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -87.01 11.43 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 110.432 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -109.85 -52.39 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 54.149999999999999 109.26 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.533 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -96.21 -56.92 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 71.019999999999996 108.242 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.08 7.87 11.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 51.329999999999998 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.99 144.97 36.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 75.230000000000004 110.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.18 137.53 47.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 70.430000000000007 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -105.18 145.51 30.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.185 . . . . 75.299999999999997 110.99 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.7 t70 -119.51 132.41 24.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 63.109999999999999 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.09 19.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 45.119999999999997 110.985 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -83.34 -29.22 28.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 45.420000000000002 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.14 -5.38 18.03 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.257 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 39.3 -144.98 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 41.43 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -147.56 86.44 6.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 73.209999999999994 109.291 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.93 19.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 72.310000000000002 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.65 -19.27 60.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 74.25 109.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -102.54 -52.85 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 53.240000000000002 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.82 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 71.439999999999998 111.019 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -48.82 125.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 52.43 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -60.06 155.31 45.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.230000000000004 109.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.44 9.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.537 1.809 . . . . 72.540000000000006 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.54 43.69 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 73.450000000000003 110.942 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -128.15 97.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 0.72 . . . . 62.219999999999999 110.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 p -48.98 165.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 71.430000000000007 110.008 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE2' ' CD2' ' A' ' 4' ' ' TYR . 13.6 t80 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 71.5 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.09 -18.96 55.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.49 23.22 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 74.140000000000001 109.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.9 mt -85.11 156.12 60.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 74.540000000000006 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 155.7 43.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 73.109999999999999 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.15 -20.79 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 70.230000000000004 109.336 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.59 30.54 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 71.239999999999995 109.296 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -94.0 147.3 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 108.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.56 158.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.232 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.84 135.42 8.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 50.100000000000001 108.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.498 1.788 . . . . 63.240000000000002 111.03 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.533 HG11 ' SG ' ' A' ' 9' ' ' CYS . 58.7 t -94.22 -62.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.420000000000002 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.16 -68.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 63.240000000000002 108.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.7 61.44 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 43.119999999999997 111.003 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 158.43 31.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 65.430000000000007 109.284 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 148.9 36.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.449 1.763 . . . . 74.340000000000003 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.36 -23.66 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.25 109.303 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -57.51 -17.8 15.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 63.32 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.54 -29.83 12.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 50.450000000000003 110.273 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.39 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.3 143.07 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 62.539999999999999 110.344 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.29 104.1 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 50.439999999999998 109.351 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 71.510000000000005 109.298 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.496 0.189 . . . . 63.210000000000001 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.79 138.14 54.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 71.209999999999994 109.321 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -106.0 160.46 15.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 63.039999999999999 109.344 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' GLU . 28.2 m-85 -139.88 167.06 22.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 73.430000000000007 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.16 146.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 61.210000000000001 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -75.64 144.88 41.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 62.020000000000003 108.249 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -106.85 21.59 17.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 74.439999999999998 110.425 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -119.56 -47.57 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 54.149999999999999 109.229 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.552 ' CB ' HG11 ' A' ' 41' ' ' VAL . 1.9 p -101.85 -49.9 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.019999999999996 108.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.32 4.66 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.433 1.083 . . . . 51.329999999999998 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -98.03 142.22 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 75.230000000000004 110.904 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -100.45 144.03 29.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 70.430000000000007 110.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 11.3 t80 -101.81 134.45 44.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 111.022 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -112.45 98.88 45.35 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 63.109999999999999 109.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.483 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.5 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 45.119999999999997 111.042 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.66 78.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 45.420000000000002 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -109.93 -2.83 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 74.430000000000007 110.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.13 13.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.093 . . . . 41.43 111.03 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.33 84.99 59.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 73.209999999999994 109.315 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -13.31 21.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 72.310000000000002 111.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.94 -21.22 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 74.25 109.335 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -108.43 -27.67 9.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 53.240000000000002 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.97 1.17 8.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 71.439999999999998 111.02 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -71.74 139.63 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.568 0.805 . . . . 52.43 109.303 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.91 155.93 88.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.274 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.95 13.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 72.540000000000006 111.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.03 49.6 0.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.589 1.181 . . . . 73.450000000000003 110.987 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.6 m -134.79 114.41 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 62.219999999999999 110.5 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -77.84 167.55 21.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 71.430000000000007 110.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -59.0 -33.43 70.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 71.5 110.98 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 -19.69 52.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -89.54 -25.12 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 74.140000000000001 109.354 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 mt -45.11 158.75 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.540000000000006 109.328 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 166.36 29.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.413 1.743 . . . . 73.109999999999999 111.052 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.01 -16.44 47.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 70.230000000000004 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -105.62 36.69 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 71.239999999999995 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -91.79 153.67 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 74.109999999999999 108.016 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -147.97 150.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 72.209999999999994 109.256 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.93 135.39 28.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 50.100000000000001 108.295 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 63.240000000000002 111.022 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG11 ' CB ' ' A' ' 9' ' ' CYS . 51.9 t -93.5 -60.79 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 71.420000000000002 109.227 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.04 -70.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 63.240000000000002 108.231 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.15 60.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 43.119999999999997 111.053 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.694 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -113.23 162.1 23.73 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 65.430000000000007 109.299 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -74.96 169.76 21.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 74.340000000000003 110.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -60.94 -15.57 32.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 72.25 109.282 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 t -62.41 -17.17 58.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 63.32 109.978 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.694 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 17.4 mm-40 -100.84 -5.85 25.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 50.450000000000003 110.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -100.61 125.86 47.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 110.961 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 19.3 mm-40 -113.4 -177.71 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.539999999999999 110.264 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.17 122.09 30.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 50.439999999999998 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 71.510000000000005 109.329 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.541 0.21 . . . . 63.210000000000001 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -119.14 136.76 54.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 71.209999999999994 109.292 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -89.05 132.81 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 63.039999999999999 109.314 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -112.02 122.69 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 73.430000000000007 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -79.88 179.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 61.210000000000001 109.265 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.4 t -106.73 141.78 37.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 62.020000000000003 108.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 p -99.82 24.58 8.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 110.419 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.9 t -121.64 -50.99 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 54.149999999999999 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -106.65 -38.28 6.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 71.019999999999996 108.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.74 1.81 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 51.329999999999998 111.022 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CB ' HG21 ' A' ' 41' ' ' VAL . 7.4 t80 -64.97 155.61 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 75.230000000000004 110.978 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -114.25 139.29 49.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 70.430000000000007 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -104.63 154.42 19.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.299999999999997 110.939 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.473 ' OD2' ' HB3' ' A' ' 16' ' ' ALA . 9.6 t0 -135.97 98.32 11.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 63.109999999999999 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -8.42 20.0 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 45.119999999999997 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB3' ' OD2' ' A' ' 14' ' ' ASP . . . -68.5 -30.1 68.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 45.420000000000002 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.9 -32.05 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 110.321 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.12 -158.16 15.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 41.43 111.031 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -160.43 85.38 1.96 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 73.209999999999994 109.299 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.04 14.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 72.310000000000002 110.975 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -70.22 -48.5 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 74.25 109.276 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.406 HD22 ' N ' ' A' ' 22' ' ' ASN . 1.6 m-80 -90.98 -66.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 53.240000000000002 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.89 60.44 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.83 120.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 52.43 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -55.87 155.23 11.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.42 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 72.540000000000006 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.17 58.26 0.48 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 73.450000000000003 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -130.0 98.22 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 0.797 . . . . 62.219999999999999 110.375 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.5 156.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 18.1 t80 -61.34 -38.24 86.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 71.5 111.045 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.92 -19.19 63.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 74.209999999999994 109.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.16 30.5 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 74.140000000000001 109.305 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 71.9 mt -99.98 157.65 33.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 109.313 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.54 42.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.441 1.758 . . . . 73.109999999999999 110.97 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.55 -15.84 61.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 70.230000000000004 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -101.84 32.01 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 71.239999999999995 109.316 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.437 ' C ' HG13 ' A' ' 38' ' ' VAL . 88.0 t90 -97.05 162.56 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 108.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG13 ' C ' ' A' ' 37' ' ' TRP . 19.5 m -152.82 -176.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 72.209999999999994 109.263 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.61 135.58 78.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 50.100000000000001 108.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 63.240000000000002 110.99 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.1 t -101.37 -58.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 71.420000000000002 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.48 -74.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.240000000000002 108.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.29 58.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 43.119999999999997 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.25 161.13 23.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 65.430000000000007 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.3 Cg_endo -75.0 164.24 33.75 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.809 . . . . 74.340000000000003 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -64.9 -18.59 65.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.25 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -63.86 -12.96 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 63.32 109.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -116.76 44.61 2.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 50.450000000000003 110.315 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 14.3 m-85 -141.24 130.34 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 74.230000000000004 110.985 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.93 165.47 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 62.539999999999999 110.359 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.97 149.3 50.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 50.439999999999998 109.285 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 71.510000000000005 109.312 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.459 0.171 . . . . 63.210000000000001 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -86.95 -25.66 24.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 71.209999999999994 109.337 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -144.37 155.61 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 63.039999999999999 109.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.654 ' CD2' ' CG ' ' A' ' 30' ' ' PHE . 16.5 m-85 -142.79 150.28 39.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 73.430000000000007 111.055 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.12 156.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 61.210000000000001 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.5 t -90.53 126.5 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 62.020000000000003 108.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -80.97 3.2 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 74.439999999999998 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.43 -47.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.556 1.16 . . . . 54.149999999999999 109.352 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.8 m -103.59 -58.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 71.019999999999996 108.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.82 9.89 10.57 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 51.329999999999998 110.921 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -77.02 121.58 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 75.230000000000004 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -75.41 130.05 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 110.3 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' OH ' HD21 ' A' ' 33' ' ' LEU . 88.5 t80 -97.42 121.26 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 75.299999999999997 110.962 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -110.24 99.92 42.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 63.109999999999999 109.354 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.19 9.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.432 1.754 . . . . 45.119999999999997 110.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.11 -32.23 68.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 45.420000000000002 109.344 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -95.67 -37.03 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.430000000000007 110.312 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.03 -176.22 26.8 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.476 1.11 . . . . 41.43 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.22 96.46 0.95 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.564 0.802 . . . . 73.209999999999994 109.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.17 21.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 72.310000000000002 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.38 -45.42 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 74.25 109.35 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -85.31 -16.47 39.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 53.240000000000002 109.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 5.98 32.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 71.439999999999998 111.001 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.5 t -65.06 174.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 52.43 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.624 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.97 160.89 54.6 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.230000000000004 109.252 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.3 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 72.540000000000006 110.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.84 49.08 0.8 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 73.450000000000003 110.986 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -124.74 94.7 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 62.219999999999999 110.446 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -44.24 151.58 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 71.430000000000007 110.014 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.654 ' CG ' ' CD2' ' A' ' 4' ' ' TYR . 27.6 t80 -55.72 -28.54 56.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 71.5 111.004 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -80.1 -21.36 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 109.293 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.31 19.34 9.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.278 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.5 mt -80.99 155.41 72.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 74.540000000000006 109.239 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.22 25.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 73.109999999999999 110.96 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.96 -16.0 37.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 70.230000000000004 109.327 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.56 31.71 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 71.239999999999995 109.261 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.5 ' O ' HG13 ' A' ' 38' ' ' VAL . 88.3 t90 -100.15 162.01 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.98 -1.119 . . . . 74.109999999999999 107.98 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 37' ' ' TRP . 22.3 m -155.72 -178.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 72.209999999999994 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.39 135.51 75.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 50.100000000000001 108.262 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.24 9.13 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.51 1.795 . . . . 63.240000000000002 111.04 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 9' ' ' CYS . 24.7 t -99.45 -59.61 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 71.420000000000002 109.236 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -70.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 63.240000000000002 108.314 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.72 47.13 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 43.119999999999997 111.029 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -91.61 159.04 39.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 65.430000000000007 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -178.71 4.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 74.340000000000003 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -92.91 24.23 3.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.625 1.203 . . . . 72.25 109.286 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 p -100.39 -11.96 19.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 63.32 110.008 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.473 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 11.0 pt-20 -107.35 -27.46 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 50.450000000000003 110.217 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.26 118.68 8.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.108 . . . . 74.230000000000004 110.936 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' OE2' ' N ' ' A' ' 52' ' ' ALA . 1.4 pp20? -90.01 172.72 8.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 62.539999999999999 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.53 117.72 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 50.439999999999998 109.28 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 71.510000000000005 109.289 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.53 0.205 . . . . 63.210000000000001 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -124.18 115.8 21.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 71.209999999999994 109.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 4' ' ' TYR . 50.7 tttt -88.06 160.58 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 63.039999999999999 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 50.5 m-85 -155.13 123.07 5.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.192 . . . . 73.430000000000007 110.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 1.2 m -80.2 -179.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 61.210000000000001 109.27 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.5 t -111.14 136.04 50.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 62.020000000000003 108.288 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 p -91.77 29.47 1.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 110.413 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -124.75 -54.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 54.149999999999999 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.53 -38.88 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.019999999999996 108.258 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.37 19.86 10.96 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 51.329999999999998 110.975 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 22.6 t80 -59.25 171.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.562 0.801 . . . . 75.230000000000004 111.022 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.592 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.4 pt-20 -127.13 117.97 23.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.430000000000007 110.275 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.82 ' OH ' HD11 ' A' ' 33' ' ' LEU . 45.4 t80 -94.14 132.71 38.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 75.299999999999997 111.016 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -121.89 97.71 45.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 63.109999999999999 109.353 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 45.119999999999997 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.62 -52.17 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 45.420000000000002 109.305 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -92.09 -24.64 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.263 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.41 -145.0 17.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 41.43 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.4 t0 178.47 84.74 0.15 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.499 0.764 . . . . 73.209999999999994 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 72.310000000000002 111.009 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -52.41 -24.7 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 74.25 109.312 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.88 ' OD1' HG23 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -123.03 -51.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 53.240000000000002 109.274 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.79 47.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.88 HG23 ' OD1' ' A' ' 22' ' ' ASN . 87.7 t -96.77 167.67 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 52.43 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -112.85 154.29 44.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.230000000000004 109.331 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 72.540000000000006 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.81 54.47 0.46 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 73.450000000000003 111.046 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 m -133.67 89.45 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 62.219999999999999 110.357 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -40.02 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 71.430000000000007 109.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 46' ' ' LYS . 28.6 t80 -73.6 -14.83 61.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.5 110.988 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.39 -18.79 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.4 -22.3 19.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.24 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.82 HD11 ' OH ' ' A' ' 13' ' ' TYR . 13.1 mt -44.19 157.57 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 74.540000000000006 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.39 42.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 73.109999999999999 110.999 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.02 -19.33 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 70.230000000000004 109.338 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.31 23.98 4.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 71.239999999999995 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -91.75 147.14 23.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.995 -1.113 . . . . 74.109999999999999 107.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -144.6 171.16 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 109.335 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -55.61 135.47 71.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 50.100000000000001 108.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.43 9.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 63.240000000000002 110.987 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 11' ' ' TYR . 72.6 t -100.59 -60.18 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 71.420000000000002 109.285 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -73.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.240000000000002 108.233 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.94 56.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 43.119999999999997 110.993 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.74 157.0 38.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.753 . . . . 65.430000000000007 109.262 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.8 40.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 74.340000000000003 110.94 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.4 mtmp? -66.79 -17.16 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 72.25 109.367 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 t -63.32 -15.48 57.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 63.32 110.012 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -103.18 -35.88 8.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 50.450000000000003 110.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 5' ' ' VAL . 9.8 m-85 -53.03 134.43 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.230000000000004 111.012 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -108.77 147.76 31.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 62.539999999999999 110.368 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.95 115.74 3.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 50.439999999999998 109.314 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 71.510000000000005 109.226 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.557 0.218 . . . . 63.210000000000001 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -108.49 -18.84 13.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 71.209999999999994 109.325 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.75 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 63.039999999999999 109.329 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.49 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 58.3 m-85 -126.4 178.69 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 73.430000000000007 111.027 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.529 HG23 ' CA ' ' A' ' 12' ' ' GLU . 8.7 p -160.47 144.69 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 61.210000000000001 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.64 151.4 42.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 62.020000000000003 108.333 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.419 HG22 ' OE1' ' A' ' 50' ' ' GLU . 57.4 p -114.02 -16.69 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -78.63 -49.76 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 54.149999999999999 109.306 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.508 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 11.7 p -97.82 -47.42 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 71.019999999999996 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.37 47.16 1.45 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 51.329999999999998 110.976 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CB ' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 -117.84 131.7 56.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 75.230000000000004 110.984 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.529 ' CA ' HG23 ' A' ' 5' ' ' VAL . 6.1 pt-20 -90.98 131.53 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 70.430000000000007 110.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -91.38 143.79 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 75.299999999999997 111.065 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -116.65 99.4 52.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.265 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.2 18.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 45.119999999999997 111.043 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.15 93.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 45.420000000000002 109.347 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -91.43 -13.73 31.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.49 -146.42 40.53 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 41.43 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -170.86 96.63 0.43 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 73.209999999999994 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -2.76 12.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 72.310000000000002 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -69.26 -52.34 28.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.453 1.096 . . . . 74.25 109.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -86.31 -18.87 30.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 53.240000000000002 109.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.39 10.64 19.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 111.001 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.62 95.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 52.43 109.277 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 154.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.230000000000004 109.371 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 97.08 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 72.540000000000006 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.37 45.65 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 73.450000000000003 111.04 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -124.13 85.8 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 62.219999999999999 110.404 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.9 m -49.47 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 110.067 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HA ' HD12 ' A' ' 33' ' ' LEU . 20.9 t80 -63.63 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 71.5 111.04 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.22 -16.69 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -94.01 -19.7 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 74.140000000000001 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 30' ' ' PHE . 32.5 mt -52.21 157.69 2.18 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.527 1.142 . . . . 74.540000000000006 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -168.16 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 73.109999999999999 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.71 -26.85 13.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.230000000000004 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -94.93 31.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 71.239999999999995 109.306 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -88.42 154.54 20.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.97 -1.122 . . . . 74.109999999999999 107.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.19 164.75 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 72.209999999999994 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.1 135.36 96.29 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 50.100000000000001 108.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -6.11 17.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.641 1.864 . . . . 63.240000000000002 111.031 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 11' ' ' TYR . 67.5 t -92.22 -59.54 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.14 -74.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 63.240000000000002 108.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.4 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.416 1.072 . . . . 43.119999999999997 111.027 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.47 ' HB1' ' HG2' ' A' ' 48' ' ' GLU . . . -93.23 159.98 34.28 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 65.430000000000007 109.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.24 3.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 74.340000000000003 111.032 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 30' ' ' PHE . 7.5 mtmp? -93.11 26.33 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 72.25 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 t -107.4 -12.1 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.96 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' OE1' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -105.81 -10.06 16.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 50.450000000000003 110.316 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CD1' ' OE1' ' A' ' 48' ' ' GLU . 13.3 m-85 -79.14 132.1 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.94 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 7' ' ' THR . 4.8 pt-20 -112.61 147.81 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 62.539999999999999 110.262 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.35 114.12 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 50.439999999999998 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 71.510000000000005 109.311 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.54 0.209 . . . . 63.210000000000001 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -64.87 -28.07 69.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 71.209999999999994 109.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -85.16 173.22 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 63.039999999999999 109.285 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.778 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 46.1 m-85 -141.57 165.26 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 73.430000000000007 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.81 140.13 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 61.210000000000001 109.264 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -73.72 128.92 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 62.020000000000003 108.306 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 p -91.45 22.07 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 110.421 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -117.62 -46.99 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 54.149999999999999 109.233 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.96 -64.27 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 71.019999999999996 108.245 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.06 71.2 0.1 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 51.329999999999998 110.988 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 30.2 t80 -97.39 175.09 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 75.230000000000004 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 3.3 pt-20 -133.61 62.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 70.430000000000007 110.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' OH ' HD11 ' A' ' 33' ' ' LEU . 74.3 t80 -58.57 132.97 55.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 111.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -125.49 98.33 35.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 63.109999999999999 109.299 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 45.119999999999997 111.065 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.93 -22.73 45.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 45.420000000000002 109.298 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.89 -6.84 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 74.430000000000007 110.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.53 -151.13 20.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.586 1.179 . . . . 41.43 110.986 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -156.62 98.69 2.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 73.209999999999994 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -7.09 18.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 72.310000000000002 110.948 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.23 -30.6 43.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 74.25 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.16 173.16 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 53.240000000000002 109.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.86 58.43 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 111.037 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 t -116.99 143.95 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 0.762 . . . . 52.43 109.313 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -84.97 157.58 59.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 109.344 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 106.3 2.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.443 1.759 . . . . 72.540000000000006 111.082 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.57 65.92 0.56 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 73.450000000000003 111.003 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -139.33 120.47 14.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 0.736 . . . . 62.219999999999999 110.416 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -67.16 148.81 51.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 71.430000000000007 110.049 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.778 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 11.2 t80 -55.51 -33.23 63.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 71.5 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -73.75 -21.04 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.209999999999994 109.335 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -95.47 27.52 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 109.327 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD11 ' OH ' ' A' ' 13' ' ' TYR . 43.9 mt -96.25 156.99 36.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 74.540000000000006 109.343 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 167.61 26.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 73.109999999999999 110.967 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.88 8.77 33.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 70.230000000000004 109.262 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.18 21.93 10.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 71.239999999999995 109.32 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -95.31 153.17 17.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 108.034 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -145.02 -177.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 72.209999999999994 109.333 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.61 135.54 78.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 50.100000000000001 108.22 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -0.23 9.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 63.240000000000002 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.87 -60.44 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 71.420000000000002 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.85 -66.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 63.240000000000002 108.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.17 54.66 0.08 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 43.119999999999997 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -104.82 165.65 12.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 65.430000000000007 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -74.98 170.38 20.55 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.807 . . . . 74.340000000000003 111.022 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -64.79 -16.47 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 72.25 109.284 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -18.29 15.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 63.32 109.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.02 32.56 5.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 50.450000000000003 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -132.43 116.07 16.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 74.230000000000004 111.049 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -114.81 167.62 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 62.539999999999999 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.0 128.76 34.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 50.439999999999998 109.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 71.510000000000005 109.338 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.549 0.214 . . . . 63.210000000000001 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.85 124.51 35.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 71.209999999999994 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -116.79 -177.97 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 63.039999999999999 109.278 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 69.5 m-85 -140.33 166.85 23.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 73.430000000000007 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -141.52 146.16 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 61.210000000000001 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -79.77 131.6 35.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.020000000000003 108.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -87.62 6.68 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.186 . . . . 74.439999999999998 110.378 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -100.27 -43.5 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 54.149999999999999 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.51 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -107.97 -55.09 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 71.019999999999996 108.27 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.36 3.09 10.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.131 . . . . 51.329999999999998 110.996 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -67.66 147.42 52.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 75.230000000000004 110.958 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.88 126.85 53.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 70.430000000000007 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 15' ' ' PRO . 20.4 t80 -92.63 129.71 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -109.98 100.3 42.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 63.109999999999999 109.269 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.0 -0.93 10.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 45.119999999999997 111.029 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.58 -44.91 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 45.420000000000002 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.9 pm0 -112.91 -15.21 12.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.79 -125.57 8.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 41.43 111.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -165.95 99.05 0.74 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 0.753 . . . . 73.209999999999994 109.281 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.77 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 72.310000000000002 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.04 -53.86 29.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 74.25 109.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -79.8 -55.37 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 53.240000000000002 109.317 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.01 71.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 71.439999999999998 111.017 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.73 136.43 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 52.43 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -49.26 155.34 1.23 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.244 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.01 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.799 . . . . 72.540000000000006 111.003 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.87 71.27 0.4 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 73.450000000000003 111.029 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -132.56 100.11 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 0.722 . . . . 62.219999999999999 110.383 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -55.36 158.78 3.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 71.430000000000007 110.01 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 23.9 t80 -60.73 -27.22 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 71.5 111.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.12 -18.48 39.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 74.209999999999994 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -22.53 23.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 74.140000000000001 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.85 158.81 0.25 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 109.288 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 178.4 7.28 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.451 1.764 . . . . 73.109999999999999 111.022 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.27 8.63 42.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 109.277 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -122.66 18.68 10.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 71.239999999999995 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -86.46 151.37 23.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.997 -1.112 . . . . 74.109999999999999 107.997 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.77 168.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 72.209999999999994 109.28 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.43 135.57 96.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 50.100000000000001 108.296 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 63.240000000000002 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' SG ' ' A' ' 9' ' ' CYS . 39.1 t -99.38 -56.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.3 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -71.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.158 . . . . 63.240000000000002 108.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.33 45.32 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.445 1.09 . . . . 43.119999999999997 111.006 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -93.56 165.73 17.51 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 65.430000000000007 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.7 Cg_endo -74.96 -179.26 4.8 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 74.340000000000003 111.049 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -90.35 16.0 9.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 72.25 109.284 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.2 m -96.28 -9.62 29.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 63.32 110.003 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' THR . 11.3 mm-40 -107.05 -2.06 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 50.450000000000003 110.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.48 125.59 37.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 74.230000000000004 110.95 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -108.64 154.81 21.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 62.539999999999999 110.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.24 119.29 13.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 50.439999999999998 109.349 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 71.510000000000005 109.317 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.501 0.191 . . . . 63.210000000000001 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -109.12 -22.02 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 71.209999999999994 109.319 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -87.98 132.19 34.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 63.039999999999999 109.36 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 59.1 m-85 -104.83 146.27 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 110.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 61.210000000000001 109.254 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.68 163.24 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 62.020000000000003 108.327 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 p -124.22 18.79 9.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 110.385 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.03 -47.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 54.149999999999999 109.346 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.14 -45.07 4.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.443 1.089 . . . . 71.019999999999996 108.259 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 3.02 23.68 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.482 1.114 . . . . 51.329999999999998 111.002 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CB ' HG21 ' A' ' 41' ' ' VAL . 12.6 t80 -69.33 141.69 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 75.230000000000004 110.972 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.54 141.73 33.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 70.430000000000007 110.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 88.1 t80 -94.95 128.53 41.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 111.052 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.97 100.32 42.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 63.109999999999999 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -11.68 21.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 45.119999999999997 110.958 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.89 90.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 45.420000000000002 109.259 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -105.11 -3.24 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -125.57 9.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 41.43 110.962 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' CE1' ' A' ' 13' ' ' TYR . 5.4 m-20 178.87 99.86 0.16 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 73.209999999999994 109.273 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -9.83 20.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 72.310000000000002 111.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.94 -31.41 68.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 74.25 109.36 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -109.98 -24.45 10.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 53.240000000000002 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.52 1.17 26.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 71.439999999999998 110.993 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.91 142.81 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 52.43 109.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -77.02 157.23 81.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.228 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.95 14.68 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.418 1.746 . . . . 72.540000000000006 111.05 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.94 41.16 2.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 73.450000000000003 111.032 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.8 m -121.82 87.85 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 62.219999999999999 110.379 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -47.33 157.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 71.430000000000007 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 14.0 t80 -67.25 -19.32 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 71.5 111.04 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -88.25 -19.35 26.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 74.209999999999994 109.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -86.62 -16.12 37.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 74.140000000000001 109.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 33' ' ' LEU . 15.9 mt -49.88 157.73 1.01 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.343 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -163.99 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 73.109999999999999 110.96 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.3 8.64 16.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 70.230000000000004 109.285 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.56 16.33 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 71.239999999999995 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -78.08 148.59 34.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 108.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.32 161.66 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 72.209999999999994 109.267 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.37 135.42 76.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 50.100000000000001 108.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 0.12 9.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 63.240000000000002 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG21 ' CB ' ' A' ' 11' ' ' TYR . 59.2 t -100.69 -58.96 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 71.420000000000002 109.279 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 -72.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 63.240000000000002 108.287 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.02 48.78 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 43.119999999999997 111.045 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.73 155.61 39.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.763 . . . . 65.430000000000007 109.292 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 164.86 32.59 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.792 . . . . 74.340000000000003 111.033 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -69.15 -16.8 63.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 72.25 109.229 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.5 p -64.15 -12.4 39.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 63.32 109.988 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -104.49 -31.12 9.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 50.450000000000003 110.275 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.31 132.87 50.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.087 . . . . 74.230000000000004 111.004 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.0 158.04 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 62.539999999999999 110.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 112.6 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 50.439999999999998 109.335 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 71.510000000000005 109.364 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.578 0.227 . . . . 63.210000000000001 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -125.78 156.54 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 71.209999999999994 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.532 ' HZ1' ' HG3' ' A' ' 12' ' ' GLU . 42.4 tttm -141.3 158.51 43.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 63.039999999999999 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.442 ' CG ' ' CE2' ' A' ' 30' ' ' PHE . 20.9 m-85 -132.1 163.76 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 111.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.53 147.62 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 61.210000000000001 109.346 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.4 t -83.08 120.24 25.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 62.020000000000003 108.302 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.3 p -83.97 7.75 17.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 74.439999999999998 110.42 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.1 t -93.98 -50.39 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 54.149999999999999 109.274 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -107.93 -48.81 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 71.019999999999996 108.285 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.38 0.35 9.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 51.329999999999998 110.994 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' HG21 ' A' ' 41' ' ' VAL . 35.8 t80 -70.54 127.44 32.7 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 0.788 . . . . 75.230000000000004 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' HG3' ' HZ1' ' A' ' 3' ' ' LYS . 11.2 pt-20 -87.67 125.82 34.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 70.430000000000007 110.238 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' OH ' HD21 ' A' ' 33' ' ' LEU . 19.3 t80 -81.26 132.86 35.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 111.002 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.608 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 23.1 t0 -111.75 99.96 46.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 63.109999999999999 109.264 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 18.4 Cg_endo -74.93 -3.67 14.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 45.119999999999997 111.051 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -78.46 -16.99 56.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 45.420000000000002 109.267 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -122.93 2.42 9.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 74.430000000000007 110.29 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.07 -124.17 31.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 41.43 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -167.14 99.91 0.64 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 73.209999999999994 109.254 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.35 20.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 72.310000000000002 111.049 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.26 -29.02 24.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 74.25 109.275 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -118.29 -175.94 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 53.240000000000002 109.271 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.87 72.2 2.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 110.961 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.84 149.35 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 52.43 109.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.52 156.16 37.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.231 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 88.34 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 72.540000000000006 111.024 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.31 66.25 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 73.450000000000003 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 32' ' ' ASP . 1.6 m -136.64 109.72 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 0.729 . . . . 62.219999999999999 110.394 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 p -54.36 157.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 71.430000000000007 109.997 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE2' ' CG ' ' A' ' 4' ' ' TYR . 16.6 t80 -62.37 -35.14 78.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 71.5 111.015 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.93 -18.13 61.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 74.209999999999994 109.256 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 28' ' ' THR . 11.9 t70 -84.27 -18.49 36.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 109.268 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD21 ' OH ' ' A' ' 13' ' ' TYR . 93.1 mt -55.97 156.48 9.96 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 109.264 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -163.16 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 73.109999999999999 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 8.56 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.052 . . . . 70.230000000000004 109.33 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.66 29.12 4.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 71.239999999999995 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -90.4 154.34 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 74.109999999999999 108.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.41 -179.22 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 72.209999999999994 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t -78.68 135.5 60.0 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 50.100000000000001 108.315 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.69 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 63.240000000000002 111.044 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 11' ' ' TYR . 57.3 t -97.6 -59.56 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 71.420000000000002 109.247 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -71.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 63.240000000000002 108.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 56.93 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 43.119999999999997 111.031 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.748 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.77 156.68 38.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 65.430000000000007 109.304 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.08 25.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.575 1.829 . . . . 74.340000000000003 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -58.91 -20.24 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 72.25 109.338 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.8 p -54.27 -22.38 11.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 63.32 110.039 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.748 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 1.6 mm-40 -96.66 -29.08 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 50.450000000000003 110.307 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -75.21 130.91 39.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 74.230000000000004 111.016 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 2.9 mm-40 -121.6 -178.62 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 62.539999999999999 110.323 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.16 123.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 50.439999999999998 109.388 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 71.510000000000005 109.334 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.458 0.171 . . . . 63.210000000000001 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -74.81 -23.83 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 71.209999999999994 109.209 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -77.67 168.24 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 63.039999999999999 109.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD2' ' CD2' ' A' ' 30' ' ' PHE . 51.7 m-85 -148.66 128.37 13.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 73.430000000000007 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -103.73 126.95 58.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 61.210000000000001 109.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.5 t -54.83 161.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 62.020000000000003 108.322 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 48' ' ' GLU . 72.0 p -116.66 2.44 12.97 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 74.439999999999998 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.0 t -99.66 -49.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 54.149999999999999 109.372 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.548 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.6 p -113.31 -61.98 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.158 . . . . 71.019999999999996 108.296 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.66 72.66 0.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 51.329999999999998 111.076 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 41' ' ' VAL . 5.6 t80 -118.84 108.07 14.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 75.230000000000004 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' TYR . 2.7 pt-20 -73.39 65.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 70.430000000000007 110.269 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 73.5 t80 -37.61 138.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 111.029 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 20.7 t70 -111.8 102.66 54.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 63.109999999999999 109.244 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.26 9.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.541 1.811 . . . . 45.119999999999997 110.997 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -80.79 -27.7 36.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 45.420000000000002 109.349 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 9.8 pt-20 -126.98 9.07 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 74.430000000000007 110.26 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.09 -121.71 26.4 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.441 1.088 . . . . 41.43 110.972 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -147.47 100.05 3.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 73.209999999999994 109.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.48 16.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 72.310000000000002 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.66 -39.05 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 74.25 109.258 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -114.01 -176.83 2.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 53.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.36 70.05 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 71.439999999999998 111.034 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.2 t -135.41 139.35 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 52.43 109.304 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -91.61 156.84 42.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 74.230000000000004 109.325 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 -7.1 18.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 72.540000000000006 111.101 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.15 37.32 3.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 73.450000000000003 111.008 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -135.84 117.46 14.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 62.219999999999999 110.422 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 m -81.86 176.52 9.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.152 . . . . 71.430000000000007 110.014 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 29.4 t80 -72.28 -27.06 62.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 71.5 110.951 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.05 -22.33 39.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 74.209999999999994 109.278 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -88.53 -20.29 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.140000000000001 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.5 mt -48.24 154.94 0.98 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.182 . . . . 74.540000000000006 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 73.109999999999999 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.7 -14.73 14.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 70.230000000000004 109.318 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -102.01 28.97 5.32 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 71.239999999999995 109.259 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.539 ' O ' HG13 ' A' ' 38' ' ' VAL . 82.4 t90 -90.15 163.57 14.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 74.109999999999999 108.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 37' ' ' TRP . 27.1 m -157.35 163.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 72.209999999999994 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.8 t -61.35 135.23 93.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 50.100000000000001 108.294 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.514 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.95 -6.62 18.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 63.240000000000002 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG11 ' SG ' ' A' ' 9' ' ' CYS . 44.8 t -91.22 -58.8 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 71.420000000000002 109.297 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.86 -70.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 63.240000000000002 108.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.02 54.92 0.07 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 43.119999999999997 111.03 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.622 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -107.45 168.8 7.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.588 0.816 . . . . 65.430000000000007 109.255 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 172.59 16.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 74.340000000000003 111.018 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -64.75 -15.82 62.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 72.25 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.6 t -62.6 -15.65 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 63.32 109.948 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 7' ' ' THR . 16.0 mm-40 -107.69 24.11 13.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 50.450000000000003 110.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.68 115.88 19.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 110.992 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -104.89 160.18 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 62.539999999999999 110.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.19 132.94 34.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 50.439999999999998 109.263 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 71.510000000000005 109.366 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.535 0.207 . . . . 63.210000000000001 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -97.95 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 71.209999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.597 ' C ' ' HB2' ' A' ' 52' ' ' ALA . 5.9 mtmp? -113.77 168.13 10.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 63.039999999999999 109.314 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.627 ' N ' ' HB2' ' A' ' 52' ' ' ALA . 19.4 m-85 -155.07 147.75 24.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 110.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.947 HG12 ' O ' ' A' ' 51' ' ' ALA . 14.7 p -109.07 147.41 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.373 1.046 . . . . 61.210000000000001 109.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.5 t -93.71 124.7 37.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 62.020000000000003 108.292 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -76.64 -2.29 32.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 74.439999999999998 110.343 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.47 -44.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 54.149999999999999 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -107.57 -59.63 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 71.019999999999996 108.334 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.76 11.75 9.09 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.477 1.111 . . . . 51.329999999999998 111.018 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -76.26 151.93 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 75.230000000000004 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.48 122.1 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 70.430000000000007 110.305 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -91.96 114.0 26.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 75.299999999999997 111.021 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.07 100.09 42.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 63.109999999999999 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 45.119999999999997 111.003 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.06 -22.92 65.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 45.420000000000002 109.234 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -112.16 -29.09 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 74.430000000000007 110.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.14 -174.82 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 41.43 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.99 97.44 4.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 73.209999999999994 109.296 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.89 19.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.529 1.805 . . . . 72.310000000000002 110.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -68.88 -28.58 66.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 74.25 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -110.25 -22.65 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 53.240000000000002 109.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.86 13.96 14.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 71.439999999999998 110.929 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.43 157.55 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 52.43 109.264 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -94.46 162.28 26.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 74.230000000000004 109.216 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.02 10.66 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 72.540000000000006 111.024 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 50.41 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.1 m -127.21 107.2 9.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 62.219999999999999 110.382 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.9 m -66.95 153.23 44.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.430000000000007 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 4' ' ' TYR . 6.7 t80 -61.14 -26.91 68.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 71.5 111.023 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.25 -14.46 59.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 74.209999999999994 109.29 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -103.71 20.43 18.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 13' ' ' TYR . 19.5 mt -83.59 155.36 65.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.540000000000006 109.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.537 1.809 . . . . 73.109999999999999 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.87 8.59 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 70.230000000000004 109.271 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -125.26 26.8 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 71.239999999999995 109.294 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.427 ' C ' HG13 ' A' ' 38' ' ' VAL . 67.4 t90 -79.61 156.87 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 74.109999999999999 107.993 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 37' ' ' TRP . 18.9 m -152.19 146.29 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 72.209999999999994 109.33 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.6 t -50.9 135.51 27.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 50.100000000000001 108.262 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -0.29 9.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.774 . . . . 63.240000000000002 111.04 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 9' ' ' CYS . 94.4 t -96.39 -61.68 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 71.420000000000002 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 p -105.76 -63.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 108.287 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.95 48.71 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 43.119999999999997 110.929 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -102.16 154.87 37.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.436 0.727 . . . . 65.430000000000007 109.284 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.41 6.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.782 . . . . 74.340000000000003 111.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -14.82 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 72.25 109.31 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -52.49 -21.26 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 63.32 110.007 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 19.7 mm-40 -91.88 -71.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 50.450000000000003 110.312 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -39.37 136.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 74.230000000000004 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 15.1 pt-20 -119.44 -52.46 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 62.539999999999999 110.231 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.947 ' O ' HG12 ' A' ' 5' ' ' VAL . . . -171.14 169.08 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 50.439999999999998 109.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.627 ' HB2' ' N ' ' A' ' 4' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 71.510000000000005 109.374 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' CB ' ' HD2' ' A' ' 2' ' ' LYS . 2.2 mpt? . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.476 0.179 . . . . 63.210000000000001 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HD2' ' CB ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -125.38 116.05 21.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 71.209999999999994 109.315 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' ALA . 68.6 mttt -63.68 172.25 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 63.039999999999999 109.272 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.696 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 50.0 m-85 -140.17 122.58 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 110.994 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.29 146.46 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 61.210000000000001 109.336 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.27 119.39 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 62.020000000000003 108.26 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 t -96.9 35.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.392 1.057 . . . . 74.439999999999998 110.439 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -127.62 -48.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 54.149999999999999 109.328 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.491 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 21.5 p -106.97 -49.4 3.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 71.019999999999996 108.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 63.19 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 51.329999999999998 110.992 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.69 ' HB2' HG21 ' A' ' 41' ' ' VAL . 27.3 t80 -128.88 153.73 47.19 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 0.784 . . . . 75.230000000000004 110.998 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.63 128.67 55.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 70.430000000000007 110.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -101.42 132.76 46.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 75.299999999999997 110.963 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.492 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 6.3 t70 -109.94 100.3 42.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 63.109999999999999 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.584 1.834 . . . . 45.119999999999997 110.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -79.88 -28.98 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 45.420000000000002 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 9.8 pt-20 -111.56 -22.51 11.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 -127.25 9.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 41.43 111.042 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -166.77 99.58 0.67 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 73.209999999999994 109.3 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.548 1.815 . . . . 72.310000000000002 110.958 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -77.34 -28.7 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 74.25 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -124.03 -176.94 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 53.240000000000002 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.09 67.25 2.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 110.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 25' ' ' LYS . 3.2 t -125.4 169.31 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 52.43 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' H ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -128.83 158.28 72.88 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 109.341 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 -6.75 18.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 72.540000000000006 111.021 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.72 48.53 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 73.450000000000003 110.984 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -141.55 138.92 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 62.219999999999999 110.409 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -92.66 166.31 12.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 71.430000000000007 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 12.4 t80 -72.66 -31.63 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.5 110.977 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -78.08 -18.56 55.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 74.209999999999994 109.3 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -88.02 -23.75 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 74.140000000000001 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -41.77 155.95 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 74.540000000000006 109.305 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.821 . . . . 73.109999999999999 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.94 8.54 22.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 70.230000000000004 109.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -119.89 19.12 12.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 71.239999999999995 109.326 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' C ' HG13 ' A' ' 38' ' ' VAL . 85.2 t90 -89.22 156.94 18.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.975 -1.121 . . . . 74.109999999999999 107.975 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.443 HG13 ' C ' ' A' ' 37' ' ' TRP . 16.3 m -152.95 166.95 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.072 . . . . 72.209999999999994 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -58.51 135.54 85.76 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 50.100000000000001 108.282 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.94 -0.81 10.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 63.240000000000002 111.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 11' ' ' TYR . 34.6 t -97.85 -58.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 71.420000000000002 109.249 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.89 -71.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.240000000000002 108.239 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.04 47.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 43.119999999999997 110.993 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -89.1 166.71 20.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 0.731 . . . . 65.430000000000007 109.343 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.08 153.26 41.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 74.340000000000003 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -63.65 -14.51 52.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 72.25 109.305 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 m -76.88 -10.73 59.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 63.32 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -105.35 14.82 28.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 50.450000000000003 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -105.75 102.22 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 74.230000000000004 111.078 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.17 118.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.539999999999999 110.307 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.19 99.46 7.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 50.439999999999998 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB3' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 71.510000000000005 109.283 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.473 0.178 . . . . 63.210000000000001 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -84.08 -16.24 44.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 71.209999999999994 109.336 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 6.8 mtpm? -106.23 169.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 63.039999999999999 109.27 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.532 ' CE1' ' CD2' ' A' ' 30' ' ' PHE . 61.1 m-85 -152.79 156.12 38.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 73.430000000000007 111.003 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -132.47 148.25 31.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 61.210000000000001 109.354 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -80.19 141.56 35.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 62.020000000000003 108.349 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.2 p -93.99 2.31 56.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 74.439999999999998 110.43 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -101.09 -44.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 54.149999999999999 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.549 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.7 m -100.69 -58.36 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 71.019999999999996 108.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.01 8.49 10.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 51.329999999999998 111.01 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 12' ' ' GLU . 14.0 t80 -82.85 155.63 24.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 75.230000000000004 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 11' ' ' TYR . 7.1 pt-20 -113.04 136.49 52.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -87.38 140.35 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 110.991 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -110.2 100.07 42.53 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 63.109999999999999 109.324 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.92 19.6 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 45.119999999999997 111.051 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.46 -49.81 44.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 45.420000000000002 109.333 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -104.44 12.62 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 110.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.25 -130.35 50.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 41.43 111.057 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' OD1' ' ND2' ' A' ' 22' ' ' ASN . 34.4 t70 -166.21 102.71 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 73.209999999999994 109.295 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.92 20.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 72.310000000000002 110.913 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.4 -38.25 83.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 74.25 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 24' ' ' VAL . 22.2 p30 -116.87 -175.18 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.388 1.055 . . . . 53.240000000000002 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.53 66.3 3.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 71.439999999999998 111.075 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 22' ' ' ASN . 37.9 t -112.42 106.5 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 52.43 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 154.71 0.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.230000000000004 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 97.04 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 72.540000000000006 110.983 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.5 75.83 0.98 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.123 . . . . 73.450000000000003 110.918 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -142.5 97.78 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 62.219999999999999 110.377 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.4 p -57.96 169.17 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 71.430000000000007 109.977 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CD2' ' CE1' ' A' ' 4' ' ' TYR . 50.9 t80 -69.66 -31.04 68.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 71.5 111.043 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.44 -16.27 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.209999999999994 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -96.19 -23.32 16.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 74.140000000000001 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 30' ' ' PHE . 17.1 mt -43.99 158.55 0.26 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 74.540000000000006 109.329 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.81 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.449 1.762 . . . . 73.109999999999999 110.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 8.72 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 70.230000000000004 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.36 23.96 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 71.239999999999995 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -88.44 141.42 28.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.109999999999999 108.024 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.99 154.85 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.29 135.44 5.45 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 50.100000000000001 108.38 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -0.17 9.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 63.240000000000002 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.549 HG11 ' SG ' ' A' ' 9' ' ' CYS . 99.6 t -97.79 -61.97 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 71.420000000000002 109.276 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.88 -68.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 63.240000000000002 108.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.48 60.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 43.119999999999997 111.003 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -103.01 164.73 14.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 65.430000000000007 109.268 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.4 Cg_endo -75.06 156.84 42.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.542 1.812 . . . . 74.340000000000003 111.036 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -65.1 -16.11 63.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 72.25 109.273 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 m -65.91 -19.34 65.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 63.32 110.007 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.56 -33.2 16.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 50.450000000000003 110.29 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -66.16 134.24 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.230000000000004 111.018 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -112.44 155.83 23.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 62.539999999999999 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.19 105.12 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 50.439999999999998 109.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 71.510000000000005 109.368 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' H2 ' ' C ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.472 0.177 . . . . 63.210000000000001 110.978 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 tptm 75.78 14.71 2.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 71.209999999999994 109.269 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -127.69 154.79 44.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 63.039999999999999 109.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -115.39 157.53 23.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 73.430000000000007 110.935 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -144.52 159.26 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 61.210000000000001 109.286 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.4 t -92.29 121.4 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 62.020000000000003 108.239 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 p -75.69 -2.34 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -94.62 -51.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 54.149999999999999 109.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.4 -58.66 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.387 1.054 . . . . 71.019999999999996 108.358 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.76 13.83 9.13 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 51.329999999999998 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -87.73 126.74 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.746 . . . . 75.230000000000004 110.982 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.5 136.06 36.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 70.430000000000007 110.33 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.677 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 59.6 t80 -91.82 124.98 36.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 75.299999999999997 110.947 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 10.3 t70 -105.23 105.36 51.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 63.109999999999999 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -25.53 11.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 45.119999999999997 110.941 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -44.69 -35.86 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 45.420000000000002 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -101.75 -28.97 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.430000000000007 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.87 -134.64 12.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 41.43 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -174.78 82.2 0.33 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.209999999999994 109.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -18.69 18.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.814 . . . . 72.310000000000002 110.98 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.22 -49.51 60.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 74.25 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -85.14 -68.75 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 53.240000000000002 109.34 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.48 68.85 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.14 . . . . 71.439999999999998 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.36 160.34 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 52.43 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -92.78 157.24 39.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.230000000000004 109.295 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.06 9.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 72.540000000000006 110.976 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -135.87 61.54 0.62 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.506 1.129 . . . . 73.450000000000003 111.024 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -146.62 107.33 4.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 62.219999999999999 110.42 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.3 m -66.96 167.67 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 71.430000000000007 110.058 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 11.7 t80 -60.18 -29.74 68.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 71.5 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -76.01 -17.42 59.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 74.209999999999994 109.303 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.2 18.42 22.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 74.140000000000001 109.309 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 25.8 mt -87.34 156.63 53.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.540000000000006 109.357 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.788 . . . . 73.109999999999999 111.007 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.33 37.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 70.230000000000004 109.29 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -96.33 23.34 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.239999999999995 109.317 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -89.58 134.31 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 74.109999999999999 108.047 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.82 147.8 33.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 109.276 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.9 t -45.1 135.57 5.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 50.100000000000001 108.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -0.11 9.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 63.240000000000002 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.64 -63.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.111 . . . . 71.420000000000002 109.233 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 p -106.8 -66.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 63.240000000000002 108.361 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.31 48.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 43.119999999999997 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.57 159.29 35.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 0.813 . . . . 65.430000000000007 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 74.340000000000003 111.035 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 53.6 mtmt -69.05 -19.86 64.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 72.25 109.357 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -65.45 -20.21 66.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 63.32 110.03 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -97.6 4.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 50.450000000000003 110.246 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -107.48 110.48 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -92.31 153.42 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 62.539999999999999 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 119.72 26.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 50.439999999999998 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' C ' ' H2 ' ' A' ' 1' ' ' MET . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 71.510000000000005 109.346 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.577 0.227 . . . . 63.210000000000001 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.1 104.66 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 71.209999999999994 109.312 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -123.21 156.07 35.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.039999999999999 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.7 158.55 43.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 73.430000000000007 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.29 142.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 61.210000000000001 109.275 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 8.1 t -77.77 121.68 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 62.020000000000003 108.317 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 p -75.9 -1.04 23.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 110.411 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.0 t -95.22 -44.11 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 54.149999999999999 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.08 -56.48 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 71.019999999999996 108.338 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 114.31 13.42 9.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.12 . . . . 51.329999999999998 111.02 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -81.83 139.36 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 75.230000000000004 111.035 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.94 119.97 33.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 70.430000000000007 110.298 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.0 t80 -74.43 120.72 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 75.299999999999997 110.993 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.52 104.28 49.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 63.109999999999999 109.264 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 45.119999999999997 110.954 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.43 -28.24 23.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 45.420000000000002 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 7.6 pt-20 -101.87 -31.01 10.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 110.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.74 -163.91 46.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 41.43 111.04 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -158.14 92.37 2.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 73.209999999999994 109.323 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.62 15.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 72.310000000000002 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -63.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 74.25 109.316 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.908 ' OD1' HG23 ' A' ' 24' ' ' VAL . 11.4 p30 -75.1 -34.73 61.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 53.240000000000002 109.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 126.81 65.85 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 111.013 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 22' ' ' ASN . 88.1 t -129.71 166.5 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.733 . . . . 52.43 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' N ' HG12 ' A' ' 24' ' ' VAL . 4.5 mptt -94.49 157.8 36.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 74.230000000000004 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.95 0.17 9.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 72.540000000000006 110.98 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.7 68.19 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.144 . . . . 73.450000000000003 111.06 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -130.85 111.52 12.18 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 0.71 . . . . 62.219999999999999 110.406 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -66.44 150.4 48.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 71.430000000000007 109.981 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -59.31 -20.42 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 71.5 111.04 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.18 -18.43 32.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.209999999999994 109.234 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.51 15.83 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 74.140000000000001 109.335 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.61 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 32.5 mt -86.72 154.99 56.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 74.540000000000006 109.264 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 167.25 27.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 73.109999999999999 110.926 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.11 8.59 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 70.230000000000004 109.237 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.17 29.85 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 71.239999999999995 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -79.95 147.45 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 74.109999999999999 107.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.0 m -135.75 149.54 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 72.209999999999994 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -54.9 135.55 66.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 50.100000000000001 108.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.485 1.782 . . . . 63.240000000000002 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.4 t -96.58 -61.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 71.420000000000002 109.298 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.4 p -106.3 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 63.240000000000002 108.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 132.74 51.73 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 43.119999999999997 111.053 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 48' ' ' GLU . . . -108.98 154.55 41.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 65.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 74.340000000000003 110.985 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -63.46 -14.14 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 72.25 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 m -61.88 -13.99 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.32 110.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.586 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 3.7 mm-40 -116.62 18.56 14.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 50.450000000000003 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -123.24 114.92 20.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 111.04 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -105.93 142.6 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 62.539999999999999 110.326 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.66 108.8 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 50.439999999999998 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.510000000000005 109.291 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.497 0.189 . . . . 63.210000000000001 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -84.59 -29.26 25.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 71.209999999999994 109.368 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 153.98 26.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 63.039999999999999 109.315 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 54.2 m-85 -148.74 144.6 27.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 110.935 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 12' ' ' GLU . 12.0 p -124.2 152.58 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 61.210000000000001 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 3.9 t -92.26 96.36 10.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 62.020000000000003 108.329 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.692 HG21 ' OE2' ' A' ' 50' ' ' GLU . 1.4 t -65.93 -11.55 48.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.339 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.2 t -71.98 -55.85 12.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 54.149999999999999 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.85 -55.61 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 71.019999999999996 108.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' CYS . . . 133.87 -9.21 4.86 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.467 1.104 . . . . 51.329999999999998 110.982 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 53.0 t80 -61.32 145.43 51.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.754 . . . . 75.230000000000004 111.008 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 5' ' ' VAL . 24.7 mt-10 -111.1 139.49 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 70.430000000000007 110.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -110.43 146.32 36.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.998 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -132.96 130.82 21.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.109999999999999 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.54 1.811 . . . . 45.119999999999997 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.9 -50.53 11.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 45.420000000000002 109.36 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 18.4 pt-20 -85.26 -39.76 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 110.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 89.21 -134.8 12.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.138 . . . . 41.43 111.066 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 177.65 90.03 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.573 0.808 . . . . 73.209999999999994 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -10.17 21.28 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 72.310000000000002 111.047 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -40.52 61.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.25 109.263 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -96.43 -75.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 53.240000000000002 109.295 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.6 40.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 71.439999999999998 110.97 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 25' ' ' LYS . 23.3 t -97.42 169.7 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.769 . . . . 52.43 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.29 155.49 53.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 72.540000000000006 111.021 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.31 70.62 0.63 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 73.450000000000003 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -147.95 109.9 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 62.219999999999999 110.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.8 p -44.86 145.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 71.430000000000007 110.06 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 19.0 t80 -62.49 -24.01 67.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 71.5 110.97 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -79.15 -16.81 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 74.209999999999994 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -93.15 20.88 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 109.326 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.0 mt -92.81 156.29 40.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.540000000000006 109.311 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 73.109999999999999 111.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 -18.27 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 70.230000000000004 109.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -95.78 24.32 5.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.239999999999995 109.334 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -93.31 140.51 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 74.109999999999999 107.991 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 m -130.84 169.37 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 109.279 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.1 t -63.74 135.93 96.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 50.100000000000001 108.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.2 10.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 63.240000000000002 111.03 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 89.4 t -99.32 -56.55 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 71.420000000000002 109.233 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.9 -72.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 63.240000000000002 108.261 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.93 47.61 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 43.119999999999997 111.012 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -95.58 165.56 16.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 65.430000000000007 109.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 18.2 Cg_endo -74.99 164.82 32.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 74.340000000000003 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -64.25 -15.77 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 72.25 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 t -66.37 -12.65 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 63.32 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 7' ' ' THR . 20.7 mm-40 -102.39 3.42 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 50.450000000000003 110.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.26 103.69 13.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.692 ' OE2' HG21 ' A' ' 7' ' ' THR . 1.2 mp0 -86.24 159.69 19.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 62.539999999999999 110.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.86 131.17 34.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 50.439999999999998 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 71.510000000000005 109.302 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 mmt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.521 0.201 . . . . 63.210000000000001 110.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -99.25 17.95 18.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 71.209999999999994 109.247 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.542 ' HZ3' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -83.0 154.27 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 63.039999999999999 109.347 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.784 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 25.0 m-85 -122.37 134.64 54.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG23 ' HG2' ' A' ' 12' ' ' GLU . 9.9 p -125.11 153.49 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 61.210000000000001 109.289 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.6 t -87.16 137.89 31.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 62.020000000000003 108.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 p -99.97 12.49 36.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 74.439999999999998 110.388 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -104.15 -46.2 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 54.149999999999999 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -108.68 -62.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 71.019999999999996 108.273 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.15 47.2 0.26 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.444 1.09 . . . . 51.329999999999998 111.051 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.25 123.43 46.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 75.230000000000004 110.996 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 5' ' ' VAL . 3.5 mm-40 -76.95 138.01 39.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 70.430000000000007 110.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CG ' ' N ' ' A' ' 14' ' ' ASP . 47.9 t80 -96.03 165.79 12.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 75.299999999999997 111.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.727 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.1 t70 -152.5 104.51 2.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 63.109999999999999 109.308 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -5.69 17.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.446 1.761 . . . . 45.119999999999997 111.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.727 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -74.72 -33.31 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 45.420000000000002 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -99.94 -28.29 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.319 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.19 -145.33 21.32 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.518 1.136 . . . . 41.43 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -170.75 99.41 0.43 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 0.799 . . . . 73.209999999999994 109.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -16.34 20.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 72.310000000000002 111.032 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -51.27 -64.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 74.25 109.242 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -78.14 -68.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.568 1.167 . . . . 53.240000000000002 109.255 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.7 76.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.98 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.04 139.38 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 0.736 . . . . 52.43 109.261 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.99 155.8 72.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 74.230000000000004 109.248 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 85.56 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.526 1.803 . . . . 72.540000000000006 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.98 64.49 0.1 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 73.450000000000003 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 m -134.57 106.81 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 62.219999999999999 110.388 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -51.28 148.56 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 71.430000000000007 110.02 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.784 ' CD1' ' CE2' ' A' ' 4' ' ' TYR . 41.4 t80 -63.39 -32.34 73.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 71.5 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.35 -16.15 59.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 109.258 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -90.58 -24.65 20.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.8 mt -42.97 154.67 0.29 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 74.540000000000006 109.324 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.92 21.56 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.458 1.768 . . . . 73.109999999999999 111.051 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.39 9.01 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 70.230000000000004 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -121.97 21.1 10.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 71.239999999999995 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.466 ' CD2' HD13 ' A' ' 33' ' ' LEU . 81.6 t90 -91.23 149.92 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 74.109999999999999 107.977 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 m -139.72 175.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.416 1.072 . . . . 72.209999999999994 109.341 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -68.97 135.54 89.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 50.100000000000001 108.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.09 9.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 63.240000000000002 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -98.22 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 71.420000000000002 109.328 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -111.63 -70.05 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 63.240000000000002 108.282 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.68 52.94 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 43.119999999999997 110.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' A' ' 48' ' ' GLU . . . -101.87 157.52 33.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 65.430000000000007 109.259 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.81 15.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 74.340000000000003 111.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 30.8 mtmt -73.11 -15.16 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 72.25 109.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -65.4 -11.16 39.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 63.32 110.041 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' OE1' ' HB1' ' A' ' 44' ' ' ALA . 9.5 mt-10 -104.56 -25.63 12.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 50.450000000000003 110.263 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.59 123.33 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 74.230000000000004 111.014 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -104.75 168.88 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 62.539999999999999 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.76 102.8 14.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 50.439999999999998 109.357 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 71.510000000000005 109.27 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.503 0.192 . . . . 63.210000000000001 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -71.66 -15.93 62.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 71.209999999999994 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -97.75 156.76 16.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 63.039999999999999 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 30' ' ' PHE . 54.7 m-85 -144.45 148.07 34.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 73.430000000000007 111.011 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.7 p -125.22 142.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 61.210000000000001 109.285 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -77.98 147.82 34.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 62.020000000000003 108.293 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -107.74 -5.78 17.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 74.439999999999998 110.415 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -83.8 -63.88 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 54.149999999999999 109.319 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' SG ' HG11 ' A' ' 41' ' ' VAL . 5.1 p -90.05 -41.26 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 71.019999999999996 108.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 14.18 17.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 51.329999999999998 110.948 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CB ' HG21 ' A' ' 41' ' ' VAL . 56.6 t80 -75.09 170.17 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.401 0.707 . . . . 75.230000000000004 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 1.7 pp20? -135.03 143.54 46.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 70.430000000000007 110.284 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -120.99 146.19 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 111.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -122.88 132.78 24.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.109999999999999 109.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.792 . . . . 45.119999999999997 110.987 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.53 -43.34 45.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 45.420000000000002 109.332 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -84.31 -43.48 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.430000000000007 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.24 -153.62 37.74 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.439 1.087 . . . . 41.43 110.948 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -155.92 99.19 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 73.209999999999994 109.241 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -40.5 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 72.310000000000002 111.076 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -59.22 -59.07 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 74.25 109.294 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -43.8 -32.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 53.240000000000002 109.356 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 17.8 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 71.439999999999998 111.017 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 t -101.67 135.15 39.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 52.43 109.371 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.48 155.77 26.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 74.230000000000004 109.324 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -6.04 17.55 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.578 1.831 . . . . 72.540000000000006 111.028 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.73 53.9 0.65 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 73.450000000000003 110.964 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -141.28 138.79 33.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.493 0.76 . . . . 62.219999999999999 110.435 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.6 p -94.53 -177.01 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 71.430000000000007 109.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 29.6 t80 -78.22 -24.07 47.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 71.5 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.27 -18.01 47.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 74.209999999999994 109.288 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.22 -17.19 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 109.327 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 37' ' ' TRP . 22.5 mt -49.9 155.51 1.51 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 109.336 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 147.6 34.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 73.109999999999999 111.024 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -16.66 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.230000000000004 109.197 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -103.45 33.35 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 71.239999999999995 109.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CD1' HD22 ' A' ' 33' ' ' LEU . 77.1 t90 -84.53 143.41 29.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 74.109999999999999 107.997 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.73 159.44 42.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 72.209999999999994 109.237 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.53 135.51 96.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 50.100000000000001 108.305 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.58 10.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 63.240000000000002 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.2 t -99.12 -56.18 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 109.313 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -71.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 63.240000000000002 108.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.0 46.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.565 1.166 . . . . 43.119999999999997 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.588 ' HB1' ' OE2' ' A' ' 48' ' ' GLU . . . -100.68 154.47 37.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 65.430000000000007 109.318 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.07 11.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 74.340000000000003 110.973 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -15.5 48.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.25 109.279 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 t -60.63 -16.13 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 63.32 109.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.588 ' OE2' ' HB1' ' A' ' 44' ' ' ALA . 2.7 mt-10 -115.77 21.49 13.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 50.450000000000003 110.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -123.99 113.76 18.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 111.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.98 179.62 4.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 62.539999999999999 110.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.88 134.33 34.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 50.439999999999998 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 71.510000000000005 109.277 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mmm . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.475 0.179 . . . . 63.210000000000001 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.18 17.34 12.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 109.304 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -109.69 160.49 16.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 63.039999999999999 109.324 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.675 ' CE1' ' CD1' ' A' ' 30' ' ' PHE . 92.7 m-85 -126.85 163.75 22.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 111.032 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.66 144.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 61.210000000000001 109.241 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.6 t -77.3 137.5 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 62.020000000000003 108.292 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -88.74 15.21 8.6 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 74.439999999999998 110.429 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -117.64 -50.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 54.149999999999999 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.567 ' SG ' HG11 ' A' ' 41' ' ' VAL . 2.1 m -94.93 -55.75 2.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 71.019999999999996 108.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.13 6.62 22.23 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.479 1.112 . . . . 51.329999999999998 110.982 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -73.58 139.22 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 0.815 . . . . 75.230000000000004 111.017 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -101.68 123.55 45.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 70.430000000000007 110.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 2.9 t80 -92.79 147.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 75.299999999999997 110.953 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 11.3 t0 -122.45 132.37 24.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 63.109999999999999 109.261 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -34.76 3.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 45.119999999999997 110.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -48.16 -53.93 15.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 45.420000000000002 109.319 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.33 -50.65 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.603 1.189 . . . . 74.430000000000007 110.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.15 -124.02 7.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 41.43 111.02 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -168.13 95.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 73.209999999999994 109.341 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.83 17.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.573 1.828 . . . . 72.310000000000002 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -72.09 -42.67 65.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.25 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -84.6 -15.96 43.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 53.240000000000002 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.56 6.8 40.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 111.018 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.15 135.19 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 52.43 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -71.46 156.33 91.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.452 1.764 . . . . 72.540000000000006 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.49 55.78 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.586 1.179 . . . . 73.450000000000003 110.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.1 m -137.26 114.11 10.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 62.219999999999999 110.379 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -71.89 155.76 40.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 71.430000000000007 110.022 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CD1' ' CE1' ' A' ' 4' ' ' TYR . 21.8 t80 -58.75 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 71.5 110.976 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -17.79 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.209999999999994 109.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -93.58 16.13 14.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 mt -83.01 156.99 66.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 74.540000000000006 109.297 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 73.109999999999999 110.963 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.47 -15.25 15.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 70.230000000000004 109.302 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.99 25.58 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 71.239999999999995 109.26 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.709 ' O ' HG13 ' A' ' 38' ' ' VAL . 84.0 t90 -102.23 162.28 13.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 74.109999999999999 108.04 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 37' ' ' TRP . 4.0 m -160.08 -173.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 72.209999999999994 109.363 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -68.06 135.5 91.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 50.100000000000001 108.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -2.33 12.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 63.240000000000002 111.043 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG11 ' SG ' ' A' ' 9' ' ' CYS . 46.3 t -94.98 -62.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 71.420000000000002 109.31 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.97 -69.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 63.240000000000002 108.264 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.18 51.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 43.119999999999997 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.51 159.75 33.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 65.430000000000007 109.205 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 160.74 39.62 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.416 1.745 . . . . 74.340000000000003 110.929 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 23.6 mtmt -63.02 -17.0 61.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 72.25 109.276 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -64.87 -15.6 62.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 63.32 110.026 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -106.25 15.56 26.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 50.450000000000003 110.265 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -115.22 107.8 15.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.6 1.188 . . . . 74.230000000000004 111.032 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.39 160.68 14.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 62.539999999999999 110.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.64 112.99 13.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 50.439999999999998 109.32 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.05 . . . . 71.510000000000005 109.293 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.485 0.183 . . . . 63.210000000000001 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -147.88 129.4 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 71.209999999999994 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -71.96 147.32 47.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 63.039999999999999 109.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 26.8 m-85 -110.26 165.69 11.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 73.430000000000007 111.007 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.01 149.95 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.362 1.039 . . . . 61.210000000000001 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 t -85.65 135.26 33.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 62.020000000000003 108.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -87.01 11.43 13.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 74.439999999999998 110.432 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.1 t -109.85 -52.39 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 54.149999999999999 109.26 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' SG ' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -96.21 -56.92 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 71.019999999999996 108.242 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.08 7.87 11.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 51.329999999999998 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -77.99 144.97 36.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 75.230000000000004 110.986 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.18 137.53 47.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 70.430000000000007 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -105.18 145.51 30.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.597 1.185 . . . . 75.299999999999997 110.99 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 3.7 t70 -119.51 132.41 24.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 63.109999999999999 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.09 19.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 45.119999999999997 110.985 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -83.34 -29.22 28.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 45.420000000000002 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -107.14 -5.38 18.03 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.257 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 39.3 -144.98 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 41.43 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -147.56 86.44 6.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 73.209999999999994 109.291 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.93 19.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 72.310000000000002 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.65 -19.27 60.89 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 74.25 109.296 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -102.54 -52.85 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 53.240000000000002 109.301 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.9 -25.82 0.92 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 71.439999999999998 111.019 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -48.82 125.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 52.43 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -60.06 155.31 45.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 74.230000000000004 109.26 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.44 9.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.537 1.809 . . . . 72.540000000000006 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.54 43.69 1.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.12 . . . . 73.450000000000003 110.942 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -128.15 97.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 0.72 . . . . 62.219999999999999 110.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.9 p -48.98 165.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 71.430000000000007 110.008 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CE2' ' CD2' ' A' ' 4' ' ' TYR . 13.6 t80 -64.75 -30.19 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 71.5 110.941 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.09 -18.96 55.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.49 23.22 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 74.140000000000001 109.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.9 mt -85.11 156.12 60.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 74.540000000000006 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 155.7 43.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 73.109999999999999 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.15 -20.79 61.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 70.230000000000004 109.336 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.59 30.54 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 71.239999999999995 109.296 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -94.0 147.3 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 108.02 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.56 158.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 109.232 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.84 135.42 8.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 50.100000000000001 108.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.38 13.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.498 1.788 . . . . 63.240000000000002 111.03 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.533 HG11 ' SG ' ' A' ' 9' ' ' CYS . 58.7 t -94.22 -62.25 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.420000000000002 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.16 -68.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 63.240000000000002 108.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.7 61.44 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 43.119999999999997 111.003 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 158.43 31.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 65.430000000000007 109.284 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 148.9 36.04 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.449 1.763 . . . . 74.340000000000003 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -59.36 -23.66 62.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 72.25 109.303 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -57.51 -17.8 15.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 63.32 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -98.54 -29.83 12.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 50.450000000000003 110.273 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.39 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 110.959 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.3 143.07 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 62.539999999999999 110.344 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.29 104.1 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 50.439999999999998 109.351 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 71.510000000000005 109.298 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_